2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]benzenesulfonic acid CAS Name: 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]besylic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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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

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC=CC=C2S(=O)(=O)O)/C#N)OC

InChI

InChI=1S/C17H15NO5S/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)/b14-9+