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

Systemtic Name: (E)-4-(2-methoxyphenyl)-3-methylsulfonyl-but-3-en-2-one Openeye Name: (E)-4-(2-methoxyphenyl)-3-methylsulfonyl-but-3-en-2-one CAS Name: (E)-4-(2-methoxyphenyl)-3-methylsulfonyl-3-buten-2-one IUPAC Name: (E)-4-(2-methoxyphenyl)-3-methylsulfonylbut-3-en-2-one Traditional Name: (E)-3-mesyl-4-(2-methoxyphenyl)but-3-en-2-one Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1OC)S(=O)(=O)C

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1OC)/S(=O)(=O)C

InChI

InChI=1S/C12H14O4S/c1-9(13)12(17(3,14)15)8-10-6-4-5-7-11(10)16-2/h4-8H,1-3H3/b12-8+