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

Systemtic Name: ethyl 7-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-3,3-dimethyl-nonyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-3,3-dimethylnonyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-3,3-dimethylnonyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-3,3-dimethyl-nonyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C25H48O4S MolecularWeight: 444.71122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48O4S/c1-5-7-8-13-18-25(3,4)23(27)19-30-22-17-16-21(26)20(22)14-11-9-10-12-15-24(28)29-6-2/h20-23,26-27H,5-19H2,1-4H3