2-(4-cyanophenyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(4-cyanophenyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(4-cyanophenyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(4-cyanophenyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(4-cyanophenyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(4-cyanophenyl)-4-methyl-besylic acid Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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