[3-(4,4-dimethyl-3-oxidanyl-octyl)-2-(7-methoxy-7-oxidanylidene-heptyl)-4-oxidanyl-cyclopentyl] benzoate

Systemtic Name: [3-(4,4-dimethyl-3-oxidanyl-octyl)-2-(7-methoxy-7-oxidanylidene-heptyl)-4-oxidanyl-cyclopentyl] benzoate Openeye Name: [4-hydroxy-3-(3-hydroxy-4,4-dimethyl-octyl)-2-(7-methoxy-7-oxo-heptyl)cyclopentyl] benzoate CAS Name: benzoic acid [4-hydroxy-3-(3-hydroxy-4,4-dimethyloctyl)-2-(7-methoxy-7-oxoheptyl)cyclopentyl] ester IUPAC Name: [4-hydroxy-3-(3-hydroxy-4,4-dimethyloctyl)-2-(7-methoxy-7-oxoheptyl)cyclopentyl] benzoate Traditional Name: benzoic acid [4-hydroxy-3-(3-hydroxy-4,4-dimethyl-octyl)-2-(7-keto-7-methoxy-heptyl)cyclopentyl] ester Formula: C30H48O6 MolecularWeight: 504.69852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCC1C(CC(C1CCCCCCC(=O)OC)OC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCC(C)(C)C(CCC1C(CC(C1CCCCCCC(=O)OC)OC(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C30H48O6/c1-5-6-20-30(2,3)27(32)19-18-23-24(16-12-7-8-13-17-28(33)35-4)26(21-25(23)31)36-29(34)22-14-10-9-11-15-22/h9-11,14-15,23-27,31-32H,5-8,12-13,16-21H2,1-4H3