4-[(Z)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-cyano-2-(p-tolylsulfonyl)vinyl]benzoic acid CAS Name: 4-[(Z)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]benzoic acid Traditional Name: 4-[(Z)-2-cyano-2-tosyl-vinyl]benzoic acid Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C17H13NO4S/c1-12-2-8-15(9-3-12)23(21,22)16(11-18)10-13-4-6-14(7-5-13)17(19)20/h2-10H,1H3,(H,19,20)/b16-10-