[2-(2-cyanophenyl)phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(2-cyanophenyl)phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(2-cyanophenyl)phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [2-(2-cyanophenyl)phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-cyanophenyl)benzyl] ester Formula: C21H17NO3S MolecularWeight: 363.42958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C21H17NO3S/c1-16-10-12-19(13-11-16)26(23,24)25-15-18-7-3-5-9-21(18)20-8-4-2-6-17(20)14-22/h2-13H,15H2,1H3