2,5-dimethyl-4-(phenylmethylsulfanyl)furan-3-one

Systemtic Name: 2,5-dimethyl-4-(phenylmethylsulfanyl)furan-3-one Openeye Name: 4-benzylsulfanyl-2,5-dimethyl-furan-3-one CAS Name: 2,5-dimethyl-4-(phenylmethylthio)-3-furanone IUPAC Name: 4-benzylsulfanyl-2,5-dimethylfuran-3-one Traditional Name: 4-(benzylthio)-2,5-dimethyl-furan-3-one Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(O1)C)SCC2=CC=CC=C2

Isomeric SMILES

CC1C(=O)C(=C(O1)C)SCC2=CC=CC=C2

InChI

InChI=1S/C13H14O2S/c1-9-12(14)13(10(2)15-9)16-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3