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

Systemtic Name: decyl 7-[2-(2-methyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-2-methyl-5-phenyl-pentyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-2-methyl-5-phenylpentyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-2-methyl-5-phenylpentyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-2-methyl-5-phenyl-pentyl)thio]-5-keto-cyclopentyl]enanthic acid decyl ester Formula: C34H56O4S MolecularWeight: 560.87104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(CCCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(CCCC2=CC=CC=C2)O

InChI

InChI=1S/C34H56O4S/c1-3-4-5-6-7-8-11-17-27-38-33(36)23-16-10-9-15-22-30-31(35)24-25-32(30)39-28-34(2,37)26-18-21-29-19-13-12-14-20-29/h12-14,19-20,30,32,37H,3-11,15-18,21-28H2,1-2H3