(E)-4-(3,4-dimethoxy-5-methylsulfonyl-phenyl)-3-methyl-but-3-en-2-one

Systemtic Name: (E)-4-(3,4-dimethoxy-5-methylsulfonyl-phenyl)-3-methyl-but-3-en-2-one Openeye Name: (E)-4-(3,4-dimethoxy-5-methylsulfonyl-phenyl)-3-methyl-but-3-en-2-one CAS Name: (E)-4-(3,4-dimethoxy-5-methylsulfonylphenyl)-3-methyl-3-buten-2-one IUPAC Name: (E)-4-(3,4-dimethoxy-5-methylsulfonylphenyl)-3-methylbut-3-en-2-one Traditional Name: (E)-4-(3-mesyl-4,5-dimethoxy-phenyl)-3-methyl-but-3-en-2-one Formula: C14H18O5S MolecularWeight: 298.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C(=C1)S(=O)(=O)C)OC)OC)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H18O5S/c1-9(10(2)15)6-11-7-12(18-3)14(19-4)13(8-11)20(5,16)17/h6-8H,1-5H3/b9-6+