12 12 0 0000 0 0 0 0 0999 V2000 3.9884 -6.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3248 -5.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.9884 -4.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3225 -4.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.3248 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9884 -2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3248 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9977 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3272 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.3272 -2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9977 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 12 2 0 6 7 2 0 7 8 1 0 8 9 1 0 8 11 2 0 9 10 2 0 11 12 1 0 M END > InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3 > FEIOASZZURHTHB-UHFFFAOYSA-N > 1/0/N:1,7,11,6,12,9,8,5,3,10,4,2/E:(2,3)(4,5)/rA:12nCOCOCCCCCOCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;d8;d5s11;/rC:3.9884,-6.9123,0;3.3248,-5.758,0;3.9884,-4.6105,0;5.3225,-4.6105,0;3.3248,-3.4562,0;3.9884,-2.3018,0;3.3248,-1.1544,0;1.9977,-1.1544,0;1.3272,0,0;;1.3272,-2.3018,0;1.9977,-3.4562,0; > C9 H8 O3 > 164.158 > COC(C1=CC=C(C=O)C=C1)=O > 14559 $$$$