10 10 0 0000 0 0 0 0 0999 V2000 1.9951 -4.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.6586 -3.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9902 -3.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9951 -2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6586 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9951 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6635 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6635 -2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4557 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 4 9 2 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 M END > InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) > CJNZAXGUTKBIHP-UHFFFAOYSA-N > 1/1/N:6,7,5,8,4,9,2,10,1,3/E:(9,10)/rA:10nOCOCCCCCCI/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;/rC:1.9951,-4.6076,0;2.6586,-3.4557,0;3.9902,-3.4557,0;1.9951,-2.3038,0;2.6586,-1.1519,0;1.9951,0,0;.6635,0,0;0,-1.1519,0;.6635,-2.3038,0;0,-3.4557,0; > C7 H5 I O2 > 248.0179 > OC(C1=C(I)C=CC=C1)=O > 6675 $$$$