10 10 0 0000 0 0 0 0 0999 V2000 2.2995 -3.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1497 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2995 -2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2935 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1497 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4552 -4.6588 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 1.1437 -0.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1497 -5.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 7 1 0 2 4 1 0 2 10 1 0 3 6 2 0 4 9 2 0 5 8 2 0 6 8 1 0 6 9 1 0 M END > InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3 > WTXXUAHMTVAQHW-UHFFFAOYSA-N > 1/0/N:10,4,9,3,8,2,6,1,7,5/rA:10nCCCCOCBrCCC/rB:d1;s1;s2;;d3;s1;d5s6;d4s6;s2;/rC:2.2995,-3.9941,0;1.1497,-4.6588,0;2.2995,-2.6588,0;0,-3.9941,0;2.2935,0,0;1.1497,-1.9941,0;3.4552,-4.6588,0;1.1437,-.6647,0;0,-2.6648,0;1.1497,-5.9882,0; > C8 H7 Br O > 199.0446 > C1(Br)C=C(C=CC=1C)C=O > 713519 $$$$