2-chloranyl-4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid Openeye Name: 2-chloro-4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-indan-5-yl)oxymethyl]phenyl]benzoic acid CAS Name: 2-chloro-4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid IUPAC Name: 2-chloro-4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid Traditional Name: 2-chloro-4-[3-[(2-cyclopentyl-1-keto-6,7-dimethyl-indan-5-yl)oxymethyl]phenyl]benzoic acid Formula: C30H29ClO4 MolecularWeight: 489.00186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC=CC(=C4)C5=CC(=C(C=C5)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC=CC(=C4)C5=CC(=C(C=C5)C(=O)O)Cl

InChI

InChI=1S/C30H29ClO4/c1-17-18(2)28-23(13-25(29(28)32)20-7-3-4-8-20)15-27(17)35-16-19-6-5-9-21(12-19)22-10-11-24(30(33)34)26(31)14-22/h5-6,9-12,14-15,20,25H,3-4,7-8,13,16H2,1-2H3,(H,33,34)