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

Systemtic Name: ethyl 7-[2-(3,3-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-3,3-dimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-3,3-dimethylheptyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-3,3-dimethylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-3,3-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:

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)OCC)O

Isomeric SMILES

CCCCC(C)(C)C(CSC1CCC(=O)C1CCCCCCC(=O)OCC)O

InChI

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