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

Systemtic Name: 3-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid Openeye Name: 3-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-indan-5-yl)oxymethyl]phenyl]benzoic acid CAS Name: 3-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid IUPAC Name: 3-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid Traditional Name: 3-[3-[(2-cyclopentyl-1-keto-6,7-dimethyl-indan-5-yl)oxymethyl]phenyl]benzoic acid Formula: C30H30O4 MolecularWeight: 454.5568

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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(=CC=C5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)21-8-3-4-9-21)16-27(18)34-17-20-7-5-10-22(13-20)23-11-6-12-24(14-23)30(32)33/h5-7,10-14,16,21,26H,3-4,8-9,15,17H2,1-2H3,(H,32,33)