(5E)-5-[(E)-4,7-bis(oxidanyl)hept-2-enylidene]-4-ethoxy-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one

Systemtic Name: (5E)-5-[(E)-4,7-bis(oxidanyl)hept-2-enylidene]-4-ethoxy-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one Openeye Name: (5E)-5-[(E)-4,7-dihydroxyhept-2-enylidene]-4-ethoxy-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one CAS Name: (5E)-5-[(E)-4,7-dihydroxyhept-2-enylidene]-4-ethoxy-2-(methylthio)-4-(4-phenoxybutyl)-1-cyclopent-2-enone IUPAC Name: (5E)-5-[(E)-4,7-dihydroxyhept-2-enylidene]-4-ethoxy-2-methylsulfanyl-4-(4-phenoxybutyl)cyclopent-2-en-1-one Traditional Name: (5E)-5-[(E)-4,7-dihydroxyhept-2-enylidene]-4-ethoxy-2-(methylthio)-4-(4-phenoxybutyl)cyclopent-2-en-1-one Formula: C25H34O5S MolecularWeight: 446.59946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C=C(C(=O)C1=CC=CC(CCCO)O)SC)CCCCOC2=CC=CC=C2

Isomeric SMILES

CCOC\1(C=C(C(=O)/C1=C/C=C/C(CCCO)O)SC)CCCCOC2=CC=CC=C2

InChI

InChI=1S/C25H34O5S/c1-3-30-25(16-7-8-18-29-21-13-5-4-6-14-21)19-23(31-2)24(28)22(25)15-9-11-20(27)12-10-17-26/h4-6,9,11,13-15,19-20,26-27H,3,7-8,10,12,16-18H2,1-2H3/b11-9+,22-15-