54183271 -OEChem-05082412132D 96 94 0 1 0 0 0 0 0999 V2000 11.7953 4.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7953 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5369 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2173 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8373 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 34 2 0 0 0 0 4 35 1 0 0 0 0 4 96 1 0 0 0 0 5 35 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 12 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 13 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 14 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 15 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 16 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 18 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 17 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 22 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 23 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 24 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 25 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 26 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 27 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 28 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 29 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 30 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 31 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 32 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 33 1 0 0 0 0 29 83 1 0 0 0 0 29 84 1 0 0 0 0 30 34 1 0 0 0 0 30 85 1 0 0 0 0 31 35 1 0 0 0 0 31 86 1 0 0 0 0 32 87 1 0 0 0 0 32 88 1 0 0 0 0 32 89 1 0 0 0 0 33 90 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 34 36 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 M END > 54183271 > 1 > 387 > 3 > 1 > 26 > AAADcfB4MAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgBACAAByASAgAACCAAAAgAIAICQCAAAAAAAAAAAAAEAACAgABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-bromohexadecan-2-one;2-bromopentadecanoic acid > 3-bromo-2-hexadecanone;2-bromopentadecanoic acid > 3-bromohexadecan-2-one;2-bromopentadecanoic acid > 3-bromohexadecan-2-one;2-bromopentadecanoic acid > 3-bromanylhexadecan-2-one;2-bromanylpentadecanoic acid > 3-bromohexadecan-2-one;2-bromopentadecanoic acid > InChI=1S/C16H31BrO.C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15(2)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h16H,3-14H2,1-2H3;14H,2-13H2,1H3,(H,17,18) > PDJFSIONSXTIOU-UHFFFAOYSA-N > 640.28887 > C31H60Br2O3 > 640.6 > CCCCCCCCCCCCCC(C(=O)C)Br.CCCCCCCCCCCCCC(C(=O)O)Br > CCCCCCCCCCCCCC(C(=O)C)Br.CCCCCCCCCCCCCC(C(=O)O)Br > 54.4 > 638.29092 > 0 > 36 > 0 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 30 1 3 31 2 3 $$$$