(E)-3-(3,5-dimethoxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C18H18O5S MolecularWeight: 346.39752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C18H18O5S/c1-22-15-10-13(11-16(12-15)23-2)4-9-18(19)14-5-7-17(8-6-14)24(3,20)21/h4-12H,1-3H3/b9-4+