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

Systemtic Name: [3-(4,4-dimethyl-3-oxidanyl-octyl)-2-(7-methoxy-7-oxidanylidene-heptyl)-4-(4-methylphenyl)sulfonyloxy-cyclopentyl] benzoate Openeye Name: [3-(3-hydroxy-4,4-dimethyl-octyl)-2-(7-methoxy-7-oxo-heptyl)-4-(p-tolylsulfonyloxy)cyclopentyl] benzoate CAS Name: benzoic acid [3-(3-hydroxy-4,4-dimethyloctyl)-2-(7-methoxy-7-oxoheptyl)-4-(4-methylphenyl)sulfonyloxycyclopentyl] ester IUPAC Name: [3-(3-hydroxy-4,4-dimethyloctyl)-2-(7-methoxy-7-oxoheptyl)-4-(4-methylphenyl)sulfonyloxycyclopentyl] benzoate Traditional Name: benzoic acid [3-(3-hydroxy-4,4-dimethyl-octyl)-2-(7-keto-7-methoxy-heptyl)-4-tosyloxy-cyclopentyl] ester Formula: C37H54O8S MolecularWeight: 658.88486

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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)OS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCCCC(C)(C)C(CCC1C(CC(C1CCCCCCC(=O)OC)OC(=O)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C37H54O8S/c1-6-7-25-37(3,4)34(38)24-23-31-30(17-13-8-9-14-18-35(39)43-5)32(44-36(40)28-15-11-10-12-16-28)26-33(31)45-46(41,42)29-21-19-27(2)20-22-29/h10-12,15-16,19-22,30-34,38H,6-9,13-14,17-18,23-26H2,1-5H3