3-[3-[(7-chloranyl-2-cyclopentyl-6-methyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[(7-chloranyl-2-cyclopentyl-6-methyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid Openeye Name: 3-[3-[(7-chloro-2-cyclopentyl-6-methyl-1-oxo-indan-5-yl)oxymethyl]phenyl]benzoic acid CAS Name: 3-[3-[(7-chloro-2-cyclopentyl-6-methyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid IUPAC Name: 3-[3-[(7-chloro-2-cyclopentyl-6-methyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid Traditional Name: 3-[3-[(7-chloro-2-cyclopentyl-1-keto-6-methyl-indan-5-yl)oxymethyl]phenyl]benzoic acid Formula: C29H27ClO4 MolecularWeight: 474.97528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(C(=O)C2=C1Cl)C3CCCC3)OCC4=CC=CC(=C4)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(C=C2CC(C(=O)C2=C1Cl)C3CCCC3)OCC4=CC=CC(=C4)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C29H27ClO4/c1-17-25(15-23-14-24(19-7-2-3-8-19)28(31)26(23)27(17)30)34-16-18-6-4-9-20(12-18)21-10-5-11-22(13-21)29(32)33/h4-6,9-13,15,19,24H,2-3,7-8,14,16H2,1H3,(H,32,33)