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

Systemtic Name: decyl 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-nonyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-2,3,3-trimethyl-nonyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethylnonyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-2,3,3-trimethylnonyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-nonyl)thio]-5-keto-cyclopentyl]enanthic acid decyl ester Formula: C34H64O4S MolecularWeight: 568.93456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H64O4S/c1-6-8-10-12-13-14-17-21-27-38-32(36)23-19-16-15-18-22-29-30(35)24-25-31(29)39-28-34(5,37)33(3,4)26-20-11-9-7-2/h29,31,37H,6-28H2,1-5H3