(2Z)-2-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: (2Z)-2-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: (2Z)-2-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoate CAS Name: (2Z)-2-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate IUPAC Name: (2Z)-2-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate Traditional Name: (Z)-3-(3-chlorophenyl)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylate Formula: C18H16ClO5S- MolecularWeight: 379.83464

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(CCO)C(=O)[O-])C2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CCO)/C(=O)[O-])/C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H17ClO5S/c1-25(23,24)15-7-5-12(6-8-15)17(16(9-10-20)18(21)22)13-3-2-4-14(19)11-13/h2-8,11,20H,9-10H2,1H3,(H,21,22)/p-1/b17-16-