decyl 7-[2-(6,6-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: decyl 7-[2-(6,6-dimethyl-2-oxidanyl-heptyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-6,6-dimethyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-6,6-dimethylheptyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-6,6-dimethylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-6,6-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(CCCC(C)(C)C)O

Isomeric SMILES

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

InChI

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