[3-methanoyl-2-(7-methoxy-7-oxidanylidene-heptyl)-4-oxidanyl-cyclopentyl] 4-phenylbenzoate

Systemtic Name: [3-methanoyl-2-(7-methoxy-7-oxidanylidene-heptyl)-4-oxidanyl-cyclopentyl] 4-phenylbenzoate Openeye Name: [3-formyl-4-hydroxy-2-(7-methoxy-7-oxo-heptyl)cyclopentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [3-formyl-4-hydroxy-2-(7-methoxy-7-oxoheptyl)cyclopentyl] ester IUPAC Name: [3-formyl-4-hydroxy-2-(7-methoxy-7-oxoheptyl)cyclopentyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-formyl-4-hydroxy-2-(7-keto-7-methoxy-heptyl)cyclopentyl] ester Formula: C27H32O6 MolecularWeight: 452.53938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC1C(CC(C1C=O)O)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCC1C(CC(C1C=O)O)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H32O6/c1-32-26(30)12-8-3-2-7-11-22-23(18-28)24(29)17-25(22)33-27(31)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h4-6,9-10,13-16,18,22-25,29H,2-3,7-8,11-12,17H2,1H3