57511246 -OEChem-03282421092D 56 55 0 1 0 0 0 0 0999 V2000 11.1972 1.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4354 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8154 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 6 2 1 1 0 0 0 3 22 1 0 0 0 0 3 56 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 M END > 57511246 > 1 > 260 > 2 > 1 > 16 > AAADcfB4MAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgBACAAByACAgAACCAAAAgAIAACQCAAAAAAAAAAAAAEAACAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (9S,10S)-9,10-dibromooctadecanoic acid > (9S,10S)-9,10-dibromooctadecanoic acid > (9S,10S)-9,10-dibromooctadecanoic acid > (9S,10S)-9,10-dibromooctadecanoic acid > (9S,10S)-9,10-bis(bromanyl)octadecanoic acid > (9S,10S)-9,10-dibromostearic acid > InChI=1S/C18H34Br2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)/t16-,17-/m0/s1 > UXHXSKUOVZUHBJ-IRXDYDNUSA-N > 8 > 442.09051 > C18H34Br2O2 > 442.3 > CCCCCCCCC(C(CCCCCCCC(=O)O)Br)Br > CCCCCCCC[C@@H]([C@H](CCCCCCCC(=O)O)Br)Br > 37.3 > 440.09256 > 0 > 22 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 5 1 5 6 2 5 $$$$