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

Systemtic Name: ethyl 7-[2-(8,8-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-8,8-dimethyl-nonyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-8,8-dimethylnonyl)thio]cyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-5-(2-hydroxy-8,8-dimethylnonyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-8,8-dimethyl-nonyl)thio]cyclopentyl]enanthic acid ethyl ester Formula: C25H48O4S MolecularWeight: 444.71122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1SCC(CCCCCC(C)(C)C)O)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1SCC(CCCCCC(C)(C)C)O)O

InChI

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