8 8 0 0000 0 0 0 0 0999 V2000 1.1432 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1485 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1485 -3.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3024 -1.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3024 -3.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1432 -5.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 4 2 0 2 5 1 0 3 6 2 0 3 7 1 0 3 8 1 0 4 6 1 0 5 7 2 0 M END > InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 > IWDCLRJOBJJRNH-UHFFFAOYSA-N > 1/0/N:8,6,7,4,5,3,2,1/E:(2,3)(4,5)/rA:8nOCCCCCCC/rB:s1;;d2;s2;d3s4;s3d5;s3;/rC:1.1432,0,0;1.1485,-1.324,0;1.1485,-3.9986,0;2.3024,-1.9834,0;0,-1.9834,0;2.3024,-3.318,0;0,-3.318,0;1.1432,-5.3173,0; > C7 H8 O > 108.1378 > OC1C=CC(C)=CC=1 > 13839082 $$$$