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

Systemtic Name: ethyl 7-[2-oxidanylidene-5-(2,8,8-trimethyl-2-oxidanyl-nonyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-2,8,8-trimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-2,8,8-trimethylnonyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-2,8,8-trimethylnonyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-2,8,8-trimethyl-nonyl)thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C26H48O4S MolecularWeight: 456.72192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48O4S/c1-6-30-24(28)15-11-8-7-10-14-21-22(27)16-17-23(21)31-20-26(5,29)19-13-9-12-18-25(2,3)4/h21,23,29H,6-20H2,1-5H3