ethyl 7-[2-(6,6-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-(6,6-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-6,6-dimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-6,6-dimethylheptyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-6,6-dimethylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-6,6-dimethyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C23H42O4S MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42O4S/c1-5-27-22(26)13-9-7-6-8-12-19-20(25)14-15-21(19)28-17-18(24)11-10-16-23(2,3)4/h18-19,21,24H,5-17H2,1-4H3