(E)-2-(4-methylsulfonylphenyl)-3-phenyl-but-2-ene-1,4-diol

Systemtic Name: (E)-2-(4-methylsulfonylphenyl)-3-phenyl-but-2-ene-1,4-diol Openeye Name: (E)-2-(4-methylsulfonylphenyl)-3-phenyl-but-2-ene-1,4-diol CAS Name: (E)-2-(4-methylsulfonylphenyl)-3-phenyl-2-butene-1,4-diol IUPAC Name: (E)-2-(4-methylsulfonylphenyl)-3-phenylbut-2-ene-1,4-diol Traditional Name: (E)-2-(4-mesylphenyl)-3-phenyl-but-2-ene-1,4-diol Formula: C17H18O4S MolecularWeight: 318.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(CO)C2=CC=CC=C2)CO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CO)/C2=CC=CC=C2)/CO

InChI

InChI=1S/C17H18O4S/c1-22(20,21)15-9-7-14(8-10-15)17(12-19)16(11-18)13-5-3-2-4-6-13/h2-10,18-19H,11-12H2,1H3/b17-16+