methyl 4-[3-[4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]-3-oxidanyl-propyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-[4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]-3-oxidanyl-propyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-hydroxy-3-[2-hydroxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]propyl]cyclohexanecarboxylate CAS Name: 4-[3-hydroxy-3-[2-hydroxy-4-(methylthio)-5-oxo-2-(4-phenoxybutyl)-1-cyclopent-3-enyl]propyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-hydroxy-3-[2-hydroxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]propyl]cyclohexane-1-carboxylate Traditional Name: 4-[3-hydroxy-3-[2-hydroxy-5-keto-4-(methylthio)-2-(4-phenoxybutyl)cyclopent-3-en-1-yl]propyl]cyclohexanecarboxylic acid methyl ester Formula: C27H38O6S MolecularWeight: 490.65202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CCC(C2C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)SC)O

Isomeric SMILES

COC(=O)C1CCC(CC1)CCC(C2C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)SC)O

InChI

InChI=1S/C27H38O6S/c1-32-26(30)20-13-10-19(11-14-20)12-15-22(28)24-25(29)23(34-2)18-27(24,31)16-6-7-17-33-21-8-4-3-5-9-21/h3-5,8-9,18-20,22,24,28,31H,6-7,10-17H2,1-2H3