44417452 -OEChem-10101305022D 31 32 0 0 0 0 0 0 0999 V2000 8.5991 -2.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 8 2 0 0 0 0 4 20 1 0 0 0 0 4 31 1 0 0 0 0 5 20 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 44417452 > 1 > 352 > 4 > 1 > 5 > AAADccBwOAAAEAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgBACAABrASgmAIwDoAABgCIAqDSCAICCAAkIAQIiAFGCOgNJjaENR6COWCk4BELq5eIyOCOABAAEAAIAAAAIAAgABAAAAAAAAAAAA== > 2-(2-benzoyl-4-bromo-phenoxy)acetic acid > 2-(2-benzoyl-4-bromophenoxy)acetic acid > 2-(2-benzoyl-4-bromophenoxy)acetic acid > 2-[4-bromanyl-2-(phenylcarbonyl)phenoxy]ethanoic acid > 2-(2-benzoyl-4-bromo-phenoxy)acetic acid > InChI=1S/C15H11BrO4/c16-11-6-7-13(20-9-14(17)18)12(8-11)15(19)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18) > QCXHRPLPQPZWKP-UHFFFAOYSA-N > 3.6 > 333.984071 > C15H11BrO4 > 335.14944 > C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)OCC(=O)O > C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)OCC(=O)O > 63.6 > 333.984071 > 0 > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 12 8 11 13 8 12 13 8 14 16 8 15 17 8 16 19 8 17 19 8 6 10 8 6 7 8 7 11 8 9 14 8 9 15 8 $$$$