71271292 -OEChem-03292406322D 30 30 0 1 0 0 0 0 0999 V2000 2.8660 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 29 1 0 0 0 0 2 10 2 0 0 0 0 3 16 1 0 0 0 0 3 30 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 M END > 71271292 > 1 > 254 > 4 > 2 > 5 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADQCAmAAyCIAAAgCIAiDSCAACAAAkAAAIiAEACMgIJjKAFRCAcQAkwAEImYeIyPCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 4-(3-carboxybutyl)benzoic acid > 4-(3-carboxybutyl)benzoic acid > 4-(3-carboxybutyl)benzoic acid > 4-(3-carboxybutyl)benzoic acid > 4-(3-methyl-4-oxidanyl-4-oxidanylidene-butyl)benzoic acid > 4-(3-carboxybutyl)benzoic acid > InChI=1S/C12H14O4/c1-8(11(13)14)2-3-9-4-6-10(7-5-9)12(15)16/h4-8H,2-3H2,1H3,(H,13,14)(H,15,16) > MIRANQMQMWWJIF-UHFFFAOYSA-N > 2.1 > 222.08920892 > C12H14O4 > 222.24 > CC(CCC1=CC=C(C=C1)C(=O)O)C(=O)O > CC(CCC1=CC=C(C=C1)C(=O)O)C(=O)O > 74.6 > 222.08920892 > 0 > 16 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 8 12 14 8 13 15 8 14 15 8 6 9 3 8 11 8 8 12 8 $$$$