(Z)-2-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)-4-oxidanylidene-pent-2-enoic acid

Systemtic Name: (Z)-2-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)-4-oxidanylidene-pent-2-enoic acid Openeye Name: (Z)-2-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)-4-oxo-pent-2-enoic acid CAS Name: (Z)-2-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)-4-oxo-2-pentenoic acid IUPAC Name: (Z)-2-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)-4-oxopent-2-enoic acid Traditional Name: (Z)-2-(4-chlorophenyl)-4-keto-3-(2-mesylphenyl)pent-2-enoic acid Formula: C18H15ClO5S MolecularWeight: 378.8267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=C(C=C1)Cl)C(=O)O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(=O)/C(=C(/C1=CC=C(C=C1)Cl)\C(=O)O)/C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H15ClO5S/c1-11(20)16(14-5-3-4-6-15(14)25(2,23)24)17(18(21)22)12-7-9-13(19)10-8-12/h3-10H,1-2H3,(H,21,22)/b17-16+