(3E)-3-(1-oxidanylethylidene)-4-phenylsulfanyl-heptan-2-one

Systemtic Name: (3E)-3-(1-oxidanylethylidene)-4-phenylsulfanyl-heptan-2-one Openeye Name: (3E)-3-(1-hydroxyethylidene)-4-phenylsulfanyl-heptan-2-one CAS Name: (3E)-3-(1-hydroxyethylidene)-4-(phenylthio)-2-heptanone IUPAC Name: (3E)-3-(1-hydroxyethylidene)-4-phenylsulfanylheptan-2-one Traditional Name: (E)-4-hydroxy-3-[1-(phenylthio)butyl]pent-3-en-2-one Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=C(C)O)C(=O)C)SC1=CC=CC=C1

Isomeric SMILES

CCCC(/C(=C(\C)/O)/C(=O)C)SC1=CC=CC=C1

InChI

InChI=1S/C15H20O2S/c1-4-8-14(15(11(2)16)12(3)17)18-13-9-6-5-7-10-13/h5-7,9-10,14,16H,4,8H2,1-3H3/b15-11+