[cyano-(3-phenoxyphenyl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 4-methylbenzenesulfonate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H17NO4S/c1-16-10-12-20(13-11-16)27(23,24)26-21(15-22)17-6-5-9-19(14-17)25-18-7-3-2-4-8-18/h2-14,21H,1H3