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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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