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

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

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

Isomeric SMILES

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

InChI

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