(2-methylphenyl) 3-cyanobenzenesulfonate

Systemtic Name: (2-methylphenyl) 3-cyanobenzenesulfonate Openeye Name: o-tolyl 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid o-tolyl ester Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H11NO3S/c1-11-5-2-3-8-14(11)18-19(16,17)13-7-4-6-12(9-13)10-15/h2-9H,1H3