4-oxidanyl-5-(1-oxidanyloctyl)-4-(4-phenoxybutyl)-2-phenylsulfanyl-cyclopent-2-en-1-one

Systemtic Name: 4-oxidanyl-5-(1-oxidanyloctyl)-4-(4-phenoxybutyl)-2-phenylsulfanyl-cyclopent-2-en-1-one Openeye Name: 4-hydroxy-5-(1-hydroxyoctyl)-4-(4-phenoxybutyl)-2-phenylsulfanyl-cyclopent-2-en-1-one CAS Name: 4-hydroxy-5-(1-hydroxyoctyl)-4-(4-phenoxybutyl)-2-(phenylthio)-1-cyclopent-2-enone IUPAC Name: 4-hydroxy-5-(1-hydroxyoctyl)-4-(4-phenoxybutyl)-2-phenylsulfanylcyclopent-2-en-1-one Traditional Name: 4-hydroxy-5-(1-hydroxyoctyl)-4-(4-phenoxybutyl)-2-(phenylthio)cyclopent-2-en-1-one Formula: C29H38O4S MolecularWeight: 482.67462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1C(=O)C(=CC1(CCCCOC2=CC=CC=C2)O)SC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCC(C1C(=O)C(=CC1(CCCCOC2=CC=CC=C2)O)SC3=CC=CC=C3)O

InChI

InChI=1S/C29H38O4S/c1-2-3-4-5-12-19-25(30)27-28(31)26(34-24-17-10-7-11-18-24)22-29(27,32)20-13-14-21-33-23-15-8-6-9-16-23/h6-11,15-18,22,25,27,30,32H,2-5,12-14,19-21H2,1H3