HMDB0251779 RDKit 3D Succinic acid, sulfo-, 1,4-dioctyl ester 66 65 0 0 0 0 0 0 0 0999 V2000 9.2176 1.3597 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 1.5079 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9799 0.1264 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -0.6825 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 -0.0364 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 0.1330 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6693 -1.2036 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6937 -0.8699 -2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -0.2247 -1.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 -0.7895 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -1.9541 -0.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -0.0898 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 -1.0022 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 -0.1848 1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4453 -0.0075 2.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 0.3617 0.5479 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3543 1.1172 1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2516 0.3238 1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4245 1.1626 2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2547 1.6672 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8129 0.5157 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6292 1.1483 -0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2300 0.0587 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1334 -0.8300 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 -2.3706 0.0042 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.9505 -2.9428 1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 -3.4770 -0.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8512 -1.7691 -1.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6067 1.3900 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8561 2.2816 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8234 0.4315 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8332 2.0575 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4251 2.0811 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9334 -0.3514 -1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3312 0.1852 -1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -1.7304 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0112 -0.8332 1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 0.9556 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5529 -0.7480 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 0.7831 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1437 0.6638 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 -1.6372 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 -1.9239 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 -1.7936 -2.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 -0.1796 -2.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 0.7153 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0739 0.3677 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 -1.3009 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0314 2.0800 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9727 1.3849 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 -0.0152 2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6386 -0.5954 1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0398 0.4810 3.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 1.9881 3.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 2.1929 1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6905 2.3426 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0184 -0.0709 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4458 -0.1328 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9349 1.7574 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4076 1.7712 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3723 -0.5555 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7587 0.5331 -2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3212 -0.4160 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1262 -0.9263 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7022 -1.8382 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8277 -2.4430 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 13 25 1 0 25 26 2 0 25 27 2 0 25 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 24 64 1 0 24 65 1 0 28 66 1 0 M END