11 12 0 0000 0 0 0 0 0999 V2000 2.6089 -4.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.8861 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.0990 -2.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9603 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.9504 -0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.6584 -1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9950 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6634 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6634 -2.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9950 -2.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 11 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 11 2 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 M END > InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2 > UHKAJLSKXBADFT-UHFFFAOYSA-N > 1/0/N:8,9,7,10,3,6,11,4,2,5,1/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:11nOCCCOCCCCCC/rB:d1;s2;s3;d4;s4;s6;d7;s8;d9;s2d6s10;/rC:2.6089,-4.594,0;2.8861,-3.292,0;4.099,-2.7524,0;3.9603,-1.4307,0;4.9504,-.5396,0;2.6584,-1.1535,0;1.995,0,0;.6634,0,0;0,-1.1535,0;.6634,-2.302,0;1.995,-2.302,0; > C9 H6 O2 > 146.1427 > O=C1C2C=CC=CC=2C(=O)C1 > 11322 $$$$