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

Systemtic Name: ethyl 7-[2-oxidanylidene-5-(2-oxidanyl-5-phenyl-pentyl)sulfanyl-cyclopentyl]heptanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O4S/c1-2-29-25(28)16-9-4-3-8-15-22-23(27)17-18-24(22)30-19-21(26)14-10-13-20-11-6-5-7-12-20/h5-7,11-12,21-22,24,26H,2-4,8-10,13-19H2,1H3