(2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanedioic acid

Systemtic Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanedioic acid Openeye Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylene]butanedioic acid CAS Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanedioic acid IUPAC Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanedioic acid Traditional Name: (2Z)-2-[(4-chlorophenyl)-(4-mesylphenyl)methylene]succinic acid Formula: C18H15ClO6S MolecularWeight: 394.8261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO6S/c1-26(24,25)14-8-4-12(5-9-14)17(11-2-6-13(19)7-3-11)15(18(22)23)10-16(20)21/h2-9H,10H2,1H3,(H,20,21)(H,22,23)/b17-15+