5-[4-(4-methoxyphenyl)-1-oxidanyl-butyl]-2-methylsulfanyl-4-oxidanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one

Systemtic Name: 5-[4-(4-methoxyphenyl)-1-oxidanyl-butyl]-2-methylsulfanyl-4-oxidanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one Openeye Name: 4-hydroxy-5-[1-hydroxy-4-(4-methoxyphenyl)butyl]-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one CAS Name: 4-hydroxy-5-[1-hydroxy-4-(4-methoxyphenyl)butyl]-2-(methylthio)-4-(4-phenoxybutyl)-1-cyclopent-2-enone IUPAC Name: 4-hydroxy-5-[1-hydroxy-4-(4-methoxyphenyl)butyl]-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one Traditional Name: 4-hydroxy-5-[1-hydroxy-4-(4-methoxyphenyl)butyl]-2-(methylthio)-4-(4-phenoxybutyl)cyclopent-2-en-1-one Formula: C27H34O5S MolecularWeight: 470.62086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC(C2C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)SC)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCC(C2C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)SC)O

InChI

InChI=1S/C27H34O5S/c1-31-21-15-13-20(14-16-21)9-8-12-23(28)25-26(29)24(33-2)19-27(25,30)17-6-7-18-32-22-10-4-3-5-11-22/h3-5,10-11,13-16,19,23,25,28,30H,6-9,12,17-18H2,1-2H3