ethyl 7-[2-[3,3-dimethyl-5-(4-methylphenyl)-2-oxidanyl-pentyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-[3,3-dimethyl-5-(4-methylphenyl)-2-oxidanyl-pentyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-3,3-dimethyl-5-(p-tolyl)pentyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-3,3-dimethyl-5-(4-methylphenyl)pentyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-3,3-dimethyl-5-(4-methylphenyl)pentyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-3,3-dimethyl-5-(p-tolyl)pentyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C28H44O4S MolecularWeight: 476.71156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C(C)(C)CCC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C(C)(C)CCC2=CC=C(C=C2)C)O

InChI

InChI=1S/C28H44O4S/c1-5-32-27(31)11-9-7-6-8-10-23-24(29)16-17-25(23)33-20-26(30)28(3,4)19-18-22-14-12-21(2)13-15-22/h12-15,23,25-26,30H,5-11,16-20H2,1-4H3