sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonate

Systemtic Name: sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonate Openeye Name: sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]benzenesulfonate CAS Name: sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonate IUPAC Name: sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonate Traditional Name: sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]besylate Formula: C17H14NNaO5S MolecularWeight: 367.35153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC=CC=C2S(=O)(=O)[O-])C#N)OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC=CC=C2S(=O)(=O)[O-])/C#N)OC.[Na+]

InChI

InChI=1S/C17H15NO5S.Na/c1-22-15-8-7-12(10-16(15)23-2)14(11-18)9-13-5-3-4-6-17(13)24(19,20)21;/h3-10H,1-2H3,(H,19,20,21);/q;+1/p-1/b14-9+;