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

Systemtic Name: decyl 7-[2-oxidanylidene-5-(2-oxidanyl-5-phenyl-pentyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-5-phenyl-pentyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-5-phenylpentyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-5-phenylpentyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-5-phenyl-pentyl)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(CCCC2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C33H54O4S/c1-2-3-4-5-6-7-10-16-26-37-33(36)23-15-9-8-14-22-30-31(35)24-25-32(30)38-27-29(34)21-17-20-28-18-12-11-13-19-28/h11-13,18-19,29-30,32,34H,2-10,14-17,20-27H2,1H3