decyl 7-[2-(2,3-dimethyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: decyl 7-[2-(2,3-dimethyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-2,3-dimethyl-3-phenyl-butyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-2,3-dimethyl-3-phenylbutyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-2,3-dimethyl-3-phenylbutyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-2,3-dimethyl-3-phenyl-butyl)thio]-5-keto-cyclopentyl]enanthic acid decyl ester Formula: C34H56O4S MolecularWeight: 560.87104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(C(C)(C)C2=CC=CC=C2)O

InChI

InChI=1S/C34H56O4S/c1-5-6-7-8-9-10-13-19-26-38-32(36)23-18-12-11-17-22-29-30(35)24-25-31(29)39-27-34(4,37)33(2,3)28-20-15-14-16-21-28/h14-16,20-21,29,31,37H,5-13,17-19,22-27H2,1-4H3