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

Systemtic Name: decyl 7-[2-(3,3-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-3,3-dimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-3,3-dimethylheptyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-3,3-dimethylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid decyl ester Formula: C31H58O4S MolecularWeight: 526.85482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H58O4S/c1-5-7-9-10-11-12-15-18-24-35-30(34)20-17-14-13-16-19-26-27(32)21-22-28(26)36-25-29(33)31(3,4)23-8-6-2/h26,28-29,33H,5-25H2,1-4H3