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

Systemtic Name: [3-(dimethoxymethyl)-2-(7-methoxy-7-oxidanylidene-heptyl)-4-oxidanyl-cyclopentyl] 4-phenylbenzoate Openeye Name: [3-(dimethoxymethyl)-4-hydroxy-2-(7-methoxy-7-oxo-heptyl)cyclopentyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [3-(dimethoxymethyl)-4-hydroxy-2-(7-methoxy-7-oxoheptyl)cyclopentyl] ester IUPAC Name: [3-(dimethoxymethyl)-4-hydroxy-2-(7-methoxy-7-oxoheptyl)cyclopentyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-(dimethoxymethyl)-4-hydroxy-2-(7-keto-7-methoxy-heptyl)cyclopentyl] ester Formula: C29H38O7 MolecularWeight: 498.60782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1C(CC(C1CCCCCCC(=O)OC)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O)OC

Isomeric SMILES

COC(C1C(CC(C1CCCCCCC(=O)OC)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O)OC

InChI

InChI=1S/C29H38O7/c1-33-26(31)14-10-5-4-9-13-23-25(19-24(30)27(23)29(34-2)35-3)36-28(32)22-17-15-21(16-18-22)20-11-7-6-8-12-20/h6-8,11-12,15-18,23-25,27,29-30H,4-5,9-10,13-14,19H2,1-3H3