8 8 0 0000 0 0 0 0 0999 V2000 4.6080 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4560 -2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3040 -1.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3040 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4560 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6080 -0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1520 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 2 0 M END > InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H > JYJVVHFRSFVEJM-UHFFFAOYSA-N > 1/0/N:1,2,6,3,5,4,7,8/E:(2,3)(4,5)/rA:8nCCCCCCIO/rB:d1;s2;d3;s4;s1d5;s4;d7;/rC:4.608,-1.9953,0;3.456,-2.6588,0;2.304,-1.9953,0;2.304,-.6635,0;3.456,0,0;4.608,-.6635,0;1.152,0,0;0,-.6635,0; > C6 H5 I O > 220.0078 > C1C=CC(I=O)=CC=1 > 83171 $$$$