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

Systemtic Name: decyl 7-[2-oxidanylidene-5-(2-oxidanyl-3-phenyl-propyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-(2-hydroxy-3-phenyl-propyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-3-phenylpropyl)thio]-5-oxocyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-(2-hydroxy-3-phenylpropyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-3-phenyl-propyl)thio]-5-keto-cyclopentyl]enanthic acid decyl ester Formula: C31H50O4S MolecularWeight: 518.7913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1=O)SCC(CC2=CC=CC=C2)O

InChI

InChI=1S/C31H50O4S/c1-2-3-4-5-6-7-10-16-23-35-31(34)20-15-9-8-14-19-28-29(33)21-22-30(28)36-25-27(32)24-26-17-12-11-13-18-26/h11-13,17-18,27-28,30,32H,2-10,14-16,19-25H2,1H3