9868580 -OEChem-04242403142D 64 68 0 1 0 0 0 0 0999 V2000 8.4530 5.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 3.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3138 2.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3138 4.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2648 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2648 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 4.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4445 3.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0077 3.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 2.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5659 2.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5659 4.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 4.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3937 2.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8814 3.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8814 3.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3937 4.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 2.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 2.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 5.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 34 1 0 0 0 0 3 64 1 0 0 0 0 4 34 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 35 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 24 26 2 0 0 0 0 24 57 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 60 1 0 0 0 0 30 32 2 0 0 0 0 30 61 1 0 0 0 0 31 33 2 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 M END > 9868580 > 1 > 719 > 4 > 1 > 6 > AAADceB4OAAAAAAAAAAAAAAAAAAAAYMAAAAwYMAAAAAAAGABUAAAGgAACAAADQSgmAIyDoAABgCIAqDSCAACCAAkIAAIiAEGCMgMJjKENRqCeSCkwBEIuYeIzPDO4AADAAAYAADAAAYAADAAAQAACAAAAA== > 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-indan-5-yl)oxymethyl]phenyl]benzoic acid > 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid > 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid > 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid > 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid > 4-[3-[(2-cyclopentyl-1-keto-6,7-dimethyl-indan-5-yl)oxymethyl]phenyl]benzoic acid > InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33) > KMKBEESNZAPKMP-UHFFFAOYSA-N > 7.2 > 454.21440943 > C30H30O4 > 454.6 > CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC(=CC=C4)C5=CC=C(C=C5)C(=O)O > CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC(=CC=C4)C5=CC=C(C=C5)C(=O)O > 63.6 > 454.21440943 > 0 > 34 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 8 13 16 8 14 15 8 15 17 8 16 18 8 17 18 8 22 23 8 22 24 8 23 25 8 24 26 8 25 27 8 26 27 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 6 5 3 $$$$