HMDB0041477 RDKit 3D 2-Ethyl-1-hexanethiol 27 26 0 0 0 0 0 0 0 0999 V2000 3.6110 0.2657 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 0.5940 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1634 -0.2584 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 0.1861 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 -0.3851 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 0.2642 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 1.7539 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 -1.8678 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3301 -2.7575 -1.1534 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 0.9491 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 -0.8035 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4379 0.4643 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 1.6373 -0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 0.3904 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 -1.3231 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -0.1295 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2069 0.1303 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 1.3064 -0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 -0.0904 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3633 -0.1873 0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 0.0848 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 2.1769 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 2.1829 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2826 1.9487 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -2.1613 0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4942 -2.2347 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 -2.1362 -2.4230 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 5 8 1 0 8 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 M END