3-[(4-methylsulfanylphenyl)-oxidanyl-methyl]but-3-en-2-one

Systemtic Name: 3-[(4-methylsulfanylphenyl)-oxidanyl-methyl]but-3-en-2-one Openeye Name: 3-[hydroxy-(4-methylsulfanylphenyl)methyl]but-3-en-2-one CAS Name: 3-[hydroxy-[4-(methylthio)phenyl]methyl]-3-buten-2-one IUPAC Name: 3-[hydroxy-(4-methylsulfanylphenyl)methyl]but-3-en-2-one Traditional Name: 3-[hydroxy-[4-(methylthio)phenyl]methyl]but-3-en-2-one Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C)C(C1=CC=C(C=C1)SC)O

Isomeric SMILES

CC(=O)C(=C)C(C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C12H14O2S/c1-8(9(2)13)12(14)10-4-6-11(15-3)7-5-10/h4-7,12,14H,1H2,2-3H3