11 11 0 0000 0 0 0 0 0999 V2000 1.9971 -4.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.6581 -3.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9971 -2.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6581 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9971 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6657 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6657 -2.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9895 -3.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6552 -4.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.6552 -2.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 9 1 0 3 4 1 0 3 8 2 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 2 0 9 11 1 0 M END > InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) > IWYDHOAUDWTVEP-UHFFFAOYSA-N > 1/1/N:6,5,7,4,8,3,2,9,1,10,11/E:(2,3)(4,5)(10,11)/rA:11nOCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;/rC:1.9971,-4.6086,0;2.6581,-3.4588,0;1.9971,-2.3043,0;2.6581,-1.1545,0;1.9971,0,0;.6657,0,0;0,-1.1545,0;.6657,-2.3043,0;3.9895,-3.4588,0;4.6552,-4.6086,0;4.6552,-2.3043,0; > C8 H8 O3 > 152.1473 > OC(C(O)=O)C1=CC=CC=C1 > 1253 $$$$