ethyl 7-[2-[5-(4-methylphenyl)-2-oxidanyl-pentyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-[5-(4-methylphenyl)-2-oxidanyl-pentyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-5-(p-tolyl)pentyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-5-(4-methylphenyl)pentyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-5-(4-methylphenyl)pentyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-5-(p-tolyl)pentyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C26H40O4S MolecularWeight: 448.6584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O4S/c1-3-30-26(29)12-7-5-4-6-11-23-24(28)17-18-25(23)31-19-22(27)10-8-9-21-15-13-20(2)14-16-21/h13-16,22-23,25,27H,3-12,17-19H2,1-2H3