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

Systemtic Name: 2-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]benzenesulfonic acid Openeye Name: 2-[2-cyano-2-(p-tolylsulfonyl)vinyl]benzenesulfonic acid CAS Name: 2-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]benzenesulfonic acid IUPAC Name: 2-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]benzenesulfonic acid Traditional Name: 2-(2-cyano-2-tosyl-vinyl)besylic acid Formula: C16H13NO5S2 MolecularWeight: 363.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=CC=C2S(=O)(=O)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=CC=C2S(=O)(=O)O)C#N

InChI

InChI=1S/C16H13NO5S2/c1-12-6-8-14(9-7-12)23(18,19)15(11-17)10-13-4-2-3-5-16(13)24(20,21)22/h2-10H,1H3,(H,20,21,22)