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

Systemtic Name: decyl 7-[2-oxidanyl-5-(2-oxidanyl-3-phenyl-propyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: decyl 7-[2-hydroxy-5-(2-hydroxy-3-phenyl-propyl)sulfanyl-cyclopentyl]heptanoate CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-3-phenylpropyl)thio]cyclopentyl]heptanoic acid decyl ester IUPAC Name: decyl 7-[2-hydroxy-5-(2-hydroxy-3-phenylpropyl)sulfanylcyclopentyl]heptanoate Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-3-phenyl-propyl)thio]cyclopentyl]enanthic acid decyl ester Formula: C31H52O4S MolecularWeight: 520.80718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1SCC(CC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCC1C(CCC1SCC(CC2=CC=CC=C2)O)O

InChI

InChI=1S/C31H52O4S/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/h11-13,17-18,27-30,32-33H,2-10,14-16,19-25H2,1H3