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

Systemtic Name: decyl 7-[2-(8,8-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-8,8-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-8,8-dimethylnonyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-8,8-dimethylnonyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-8,8-dimethyl-nonyl)thio]-5-keto-cyclopentyl]enanthic acid decyl ester Formula: C33H62O4S MolecularWeight: 554.90798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H62O4S/c1-5-6-7-8-9-10-13-19-26-37-32(36)22-17-12-11-16-21-29-30(35)23-24-31(29)38-27-28(34)20-15-14-18-25-33(2,3)4/h28-29,31,34H,5-27H2,1-4H3