1996 2 Marvin 12300703363D 3 4 13 13 0 0 0 0 999 V2000 5 -1.1709 -2.1086 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 -0.5317 -1.0277 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 0.8788 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 -1.2264 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 1.5888 0.1839 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 -0.5163 1.4138 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 0.8912 1.4069 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 1.3960 -1.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 -2.2490 0.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 2.6112 0.1810 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 -1.0246 2.3005 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1.4055 2.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 -2.0526 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 2 1 0 0 0 0 19 1 13 1 0 0 0 0 20 2 3 2 0 0 0 0 21 2 4 1 0 0 0 0 22 3 5 1 0 0 0 0 23 3 8 1 0 0 0 0 24 4 6 2 0 0 0 0 25 4 9 1 0 0 0 0 26 5 7 2 0 0 0 0 27 5 10 1 0 0 0 0 28 6 7 1 0 0 0 0 29 6 11 1 0 0 0 0 30 7 12 1 0 0 0 0 31M END 32 33>342 3 8 352 4 8 363 5 8 374 6 8 385 7 8 396 7 8 40 41> 42InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H 43 44> 45ISWSIDIOOBJBQZ-UHFFFAOYSA-N 46 47> 481/0/N:7,5,6,3,4,2,1/E:(2,3)(4,5)/rA:13nOCCCCCCHHHHHH/rB:s1;d2;s2;s3;d4;d5s6;s3;s4;s5;s6;s7;s1;/rC:-1.1709,-2.1086,0;-.5317,-1.0277,0;.8788,-1.0328,0;-1.2264,.1986,0;1.5888,.1839,0;-.5163,1.4138,0;.8912,1.4069,0;1.396,-1.9155,0;-2.249,.2143,0;2.6112,.181,0;-1.0246,2.3005,0;1.4055,2.2902,0;-2.0526,-2.1045,0; 49 50> 51C6 H6 O 52 53> 5494.11124 55 56> 57O([H])C1C([H])=C([H])C([H])=C([H])C=1[H] 58 59> 60971 61 62$$$$ 63