3-[2-(3,4-dicyclopentyloxyphenyl)-6-(3-methylperoxy-3-oxidanylidene-propyl)phenyl]benzoic acid

Systemtic Name: 3-[2-(3,4-dicyclopentyloxyphenyl)-6-(3-methylperoxy-3-oxidanylidene-propyl)phenyl]benzoic acid Openeye Name: 3-[2-[3,4-bis(cyclopentoxy)phenyl]-6-(3-methylperoxy-3-oxo-propyl)phenyl]benzoic acid CAS Name: 3-[2-(3,4-dicyclopentyloxyphenyl)-6-(3-methyldioxy-3-oxopropyl)phenyl]benzoic acid IUPAC Name: 3-[2-(3,4-dicyclopentyloxyphenyl)-6-(3-methylperoxy-3-oxopropyl)phenyl]benzoic acid Traditional Name: 3-[2-[3,4-bis(cyclopentoxy)phenyl]-6-(3-keto-3-methylperoxy-propyl)phenyl]benzoic acid Formula: C33H36O7 MolecularWeight: 544.63474

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Descriptors Computed from Structure

Canonical SMILES:

COOC(=O)CCC1=CC=CC(=C1C2=CC(=CC=C2)C(=O)O)C3=CC(=C(C=C3)OC4CCCC4)OC5CCCC5

Isomeric SMILES

COOC(=O)CCC1=CC=CC(=C1C2=CC(=CC=C2)C(=O)O)C3=CC(=C(C=C3)OC4CCCC4)OC5CCCC5

InChI

InChI=1S/C33H36O7/c1-37-40-31(34)19-17-22-8-7-15-28(32(22)24-9-6-10-25(20-24)33(35)36)23-16-18-29(38-26-11-2-3-12-26)30(21-23)39-27-13-4-5-14-27/h6-10,15-16,18,20-21,26-27H,2-5,11-14,17,19H2,1H3,(H,35,36)