11 12 0 0000 0 0 0 0 0999 V2000 1.1438 -5.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1005 -6.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1654 -7.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.2086 -6.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1438 -3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1510 -1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3020 -1.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3020 -3.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1510 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 1 5 1 0 2 3 1 0 3 4 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 M END > InChI=1S/C9H9BrO/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8H,5-6H2 > NASAZXLCAPUVRH-UHFFFAOYSA-N > 1/0/N:6,10,7,9,2,4,5,1,8,11,3/E:(1,2)(3,4)(5,6)/rA:11nCCOCCCCCCCBr/rB:s1;s2;s1s3;s1;d5;s6;d7;s8;s5d9;s8;/rC:1.1438,-5.3017,0;2.1005,-6.2584,0;1.1654,-7.1936,0;.2086,-6.2369,0;1.1438,-3.9781,0;0,-3.3091,0;0,-1.9926,0;1.151,-1.3236,0;2.302,-1.9854,0;2.302,-3.3091,0;1.151,0,0; > C9 H9 Br O > 213.0712 > C1(C2C=CC(Br)=CC=2)COC1 > 28467437 $$$$