70807335 -OEChem-03192407322D 40 40 0 0 0 0 0 0 0999 V2000 2.8660 -3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 40 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 M END > 70807335 > 1 > 322 > 2 > 1 > 4 > AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADgCAmAAyCIAAAgCIAiDSCAACAAAkAAAIiAEACMgIJjKAFRCAcQAkwAEImYeIyPCPQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 4-(1-isopropylidene-3,3-dimethyl-butyl)benzoic acid > 4-(2,5,5-trimethylhex-2-en-3-yl)benzoic acid > 4-(2,5,5-trimethylhex-2-en-3-yl)benzoic acid > 4-(2,5,5-trimethylhex-2-en-3-yl)benzoic acid > 4-(2,5,5-trimethylhex-2-en-3-yl)benzoic acid > 4-(2-methyl-1-neopentyl-prop-1-enyl)benzoic acid > InChI=1S/C16H22O2/c1-11(2)14(10-16(3,4)5)12-6-8-13(9-7-12)15(17)18/h6-9H,10H2,1-5H3,(H,17,18) > BTXJCGPNJSOPNL-UHFFFAOYSA-N > 5.3 > 246.161979940 > C16H22O2 > 246.34 > CC(=C(CC(C)(C)C)C1=CC=C(C=C1)C(=O)O)C > CC(=C(CC(C)(C)C)C1=CC=C(C=C1)C(=O)O)C > 37.3 > 246.161979940 > 0 > 18 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 14 8 13 15 8 14 16 8 15 17 8 16 17 8 $$$$