10 10 0 0000 0 0 0 0 0999 V2000 3.8049 -0.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.3514 -3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3514 -4.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.2583 -3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.8049 -2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.8049 -5.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.2583 -4.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8979 -2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8979 -5.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7118 -2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 2 3 2 0 2 5 1 0 2 8 1 0 3 6 1 0 3 9 1 0 4 5 2 0 4 7 1 0 4 10 1 0 6 7 2 0 M END > InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 > QQOMQLYQAXGHSU-UHFFFAOYSA-N > 1/0/N:9,10,8,6,7,3,4,2,5,1/rA:22nOCCCCCCCCCHHHHHHHHHHHH/rB:;d2;;s1s2d4;s3;s4d6;s2;s3;s4;s6;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s1;/rC:3.8049,-.5175,0;2.3514,-3.0363,0;2.3514,-4.7104,0;5.2583,-3.0363,0;3.8049,-2.1992,0;3.8049,-5.5475,0;5.2583,-4.7104,0;.8979,-2.1992,0;.8979,-5.5475,0;6.7118,-2.1992,0;3.8049,-6.59,0;6.1563,-5.2355,0;1.423,-1.2937,0;0,-1.6741,0;.3805,-3.0972,0;0,-6.0726,0;1.423,-6.453,0;.3805,-4.6495,0;7.2292,-3.0972,0;7.6097,-1.6741,0;6.1867,-1.2937,0;4.7028,0,0; > C9 H12 O > 136.191 > O([H])C1=C(C([H])([H])[H])C([H])=C([H])C(C([H])([H])[H])=C1C([H])([H])[H] > 16119 $$$$