ethyl 7-[2-(8,8-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-(8,8-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-8,8-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-8,8-dimethylnonyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-8,8-dimethylnonyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-8,8-dimethyl-nonyl)thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C25H46O4S MolecularWeight: 442.69534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(CCCCCC(C)(C)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(CCCCCC(C)(C)C)O

InChI

InChI=1S/C25H46O4S/c1-5-29-24(28)15-11-7-6-10-14-21-22(27)16-17-23(21)30-19-20(26)13-9-8-12-18-25(2,3)4/h20-21,23,26H,5-19H2,1-4H3