8 9 0 0000 0 0 0 0 0999 V2000 2.5710 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9265 -1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2855 -1.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.5710 -2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9265 -3.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6411 -3.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 6 1 0 3 4 1 0 4 5 1 0 4 8 1 0 5 6 1 0 6 7 1 0 7 8 2 0 M END > InChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6H,3-4H2 > HUQXEIFQYCVOPD-UHFFFAOYSA-N > 1/0/N:8,7,5,3,4,6,2,1/rA:8nOCCCCCCC/rB:d1;s2;s3;s4;s2s5;s6;s4d7;/rC:2.571,0,0;1.9265,-1.1119,0;.6411,-1.1119,0;0,-2.2271,0;1.2855,-1.4825,0;2.571,-2.2271,0;1.9265,-3.3389,0;.6411,-3.3389,0; > C7 H8 O > 108.1378 > O=C1C2C=CC(C2)C1 > 120280 $$$$