44119678 -OEChem-03192406162D 53 52 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 2 53 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 M END > 44119678 > 1 > 219 > 2 > 1 > 15 > AAADcfB4MAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgBACAAByACAgAACCAAAAgAIAACQCAAAAAAAAAAAAAEAACAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 16-bromoheptadecanoic acid > 16-bromoheptadecanoic acid > 16-bromoheptadecanoic acid > 16-bromoheptadecanoic acid > 16-bromanylheptadecanoic acid > 16-bromoheptadecanoic acid > InChI=1S/C17H33BrO2/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(19)20/h16H,2-15H2,1H3,(H,19,20) > AILKGAODMMCLAY-UHFFFAOYSA-N > 6.7 > 348.16639 > C17H33BrO2 > 349.3 > CC(CCCCCCCCCCCCCCC(=O)O)Br > CC(CCCCCCCCCCCCCCC(=O)O)Br > 37.3 > 348.16639 > 0 > 20 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 1 3 $$$$