16679092 -OEChem-09112312253D 81 84 0 0 0 0 0 0 0999 V2000 5.5062 0.0193 0.2890 P 0 3 0 0 0 0 0 0 0 0 0 0 -8.6245 2.0715 -0.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1680 -2.3619 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8924 -0.0273 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7511 -0.1633 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3676 -0.2141 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 0.1266 1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5343 1.4494 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6745 -1.4763 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 -0.2733 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.2509 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2843 -0.2717 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 -0.2159 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 0.2088 2.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 1.3630 -2.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4767 -1.4948 -1.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0986 0.1293 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 2.6600 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.6324 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -0.2703 -0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1515 -0.2482 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3454 0.2936 3.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0796 2.4867 -2.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6087 -2.6694 -2.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0733 0.2139 2.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0539 3.7838 -1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 -3.8069 -0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2959 -0.3360 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 0.2962 3.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5776 3.6970 -2.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9384 -3.8254 -2.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6299 -0.2839 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2257 1.0552 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2853 -1.3821 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5667 1.1356 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2085 0.0191 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6017 -1.3221 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0979 2.5360 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5340 -0.0189 1.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 0.9052 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 -0.8498 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 -1.0499 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 0.6935 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3124 -1.0877 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 0.6720 1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 -1.1827 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2978 0.5805 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 -1.1151 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 0.6494 1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 -1.1822 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 0.5810 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 0.7049 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 -1.0569 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.2138 3.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 0.4431 -2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0328 -0.6164 -2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4019 0.0695 0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3947 2.7522 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -2.6544 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7045 -1.1823 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7163 0.5808 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2134 -1.0865 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2402 0.6730 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0529 0.3588 4.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7011 2.4215 -3.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2394 -2.6860 -3.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1253 0.2169 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4383 4.7273 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6194 -4.7088 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2067 0.4613 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2012 -1.2728 -1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4555 0.3627 4.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5921 4.5727 -3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -4.7407 -2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8653 -2.3700 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5463 3.0651 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1612 2.5741 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9869 3.0934 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4926 -0.7024 2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8384 0.9488 1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3172 -0.3669 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 33 2 0 0 0 0 3 37 2 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 10 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 14 2 0 0 0 0 7 17 1 0 0 0 0 8 15 2 0 0 0 0 8 18 1 0 0 0 0 9 16 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 20 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 22 1 0 0 0 0 14 54 1 0 0 0 0 15 23 1 0 0 0 0 15 55 1 0 0 0 0 16 24 1 0 0 0 0 16 56 1 0 0 0 0 17 25 2 0 0 0 0 17 57 1 0 0 0 0 18 26 2 0 0 0 0 18 58 1 0 0 0 0 19 27 2 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 28 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 29 2 0 0 0 0 22 64 1 0 0 0 0 23 30 2 0 0 0 0 23 65 1 0 0 0 0 24 31 2 0 0 0 0 24 66 1 0 0 0 0 25 29 1 0 0 0 0 25 67 1 0 0 0 0 26 30 1 0 0 0 0 26 68 1 0 0 0 0 27 31 1 0 0 0 0 27 69 1 0 0 0 0 28 32 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 34 75 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 M CHG 1 1 1 M END > DB18089 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZFUDULLGKXSPPH-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(C)C(=O)C(CCCCCCCCCC[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=CC1=O > InChI=1S/C36H42O2P/c1-29-30(2)36(38)31(28-35(29)37)20-12-7-5-3-4-6-8-19-27-39(32-21-13-9-14-22-32,33-23-15-10-16-24-33)34-25-17-11-18-26-34/h9-11,13-18,21-26,28H,3-8,12,19-20,27H2,1-2H3/q+1 > ZFUDULLGKXSPPH-UHFFFAOYSA-N > C36H42O2P > 537.703 > 537.291694011 > 2 > 81 > 1.0 > 63.774018343582725 > 0 > 0 > 1 > 0 > [10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl]triphenylphosphanium > 9.921572668333337 > 1 > 1 > 4 > 1 > -7.608537233850386 > 34.14 > 166.39769999999996 > 14 > 0 > skq-1 ion > 0 $$$$