ethyl 7-[2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-2-methyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-2-methylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-2-methyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40O4S/c1-4-6-11-16-22(3,25)17-27-20-15-14-19(23)18(20)12-9-7-8-10-13-21(24)26-5-2/h18,20,25H,4-17H2,1-3H3