(E)-4-(2-methylphenyl)-3-methylsulfonyl-but-3-en-2-one

Systemtic Name: (E)-4-(2-methylphenyl)-3-methylsulfonyl-but-3-en-2-one Openeye Name: (E)-3-methylsulfonyl-4-(o-tolyl)but-3-en-2-one CAS Name: (E)-4-(2-methylphenyl)-3-methylsulfonyl-3-buten-2-one IUPAC Name: (E)-4-(2-methylphenyl)-3-methylsulfonylbut-3-en-2-one Traditional Name: (E)-3-mesyl-4-(o-tolyl)but-3-en-2-one Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(\C(=O)C)/S(=O)(=O)C

InChI

InChI=1S/C12H14O3S/c1-9-6-4-5-7-11(9)8-12(10(2)13)16(3,14)15/h4-8H,1-3H3/b12-8+