(2E)-2-[(3-chloranyl-4-methoxy-phenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: (2E)-2-[(3-chloranyl-4-methoxy-phenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: (2E)-2-[(3-chloro-4-methoxy-phenyl)-(4-methylsulfonylphenyl)methylene]-4-hydroxy-butanoate CAS Name: (2E)-2-[(3-chloro-4-methoxyphenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate IUPAC Name: (2E)-2-[(3-chloro-4-methoxyphenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoate Traditional Name: (E)-3-(3-chloro-4-methoxy-phenyl)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)acrylate Formula: C19H18ClO6S- MolecularWeight: 409.86062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=C(CCO)C(=O)[O-])C2=CC=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C(\CCO)/C(=O)[O-])/C2=CC=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H19ClO6S/c1-26-17-8-5-13(11-16(17)20)18(15(9-10-21)19(22)23)12-3-6-14(7-4-12)27(2,24)25/h3-8,11,21H,9-10H2,1-2H3,(H,22,23)/p-1/b18-15+