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

Systemtic Name: ethyl 7-[2-(2,3-dimethyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H40O4S MolecularWeight: 448.6584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O4S/c1-5-30-24(28)16-12-7-6-11-15-21-22(27)17-18-23(21)31-19-26(4,29)25(2,3)20-13-9-8-10-14-20/h8-10,13-14,21,23,29H,5-7,11-12,15-19H2,1-4H3