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

Systemtic Name: decyl 7-[2-(3,3-dimethyl-2-oxidanyl-nonyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-3,3-dimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-3,3-dimethylnonyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-3,3-dimethylnonyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-3,3-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(C(C)(C)CCCCCC)O

Isomeric SMILES

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

InChI

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