decyl 7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: decyl 7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-3-methyl-3-phenyl-butyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-3-methyl-3-phenylbutyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-3-methyl-3-phenylbutyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-3-methyl-3-phenyl-butyl)thio]-5-keto-cyclopentyl]enanthic acid decyl ester Formula: C33H54O4S MolecularWeight: 546.84446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(C(C)(C)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(C(C)(C)C2=CC=CC=C2)O

InChI

InChI=1S/C33H54O4S/c1-4-5-6-7-8-9-12-18-25-37-32(36)22-17-11-10-16-21-28-29(34)23-24-30(28)38-26-31(35)33(2,3)27-19-14-13-15-20-27/h13-15,19-20,28,30-31,35H,4-12,16-18,21-26H2,1-3H3