[4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl] methanesulfonate

Systemtic Name: [4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl] methanesulfonate Openeye Name: [4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl] ester IUPAC Name: [4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(4-cyanophenyl)-4-(3,4-dimethoxyphenoxy)butyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(CCCOS(=O)(=O)C)C2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC(CCCOS(=O)(=O)C)C2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C20H23NO6S/c1-24-19-11-10-17(13-20(19)25-2)27-18(5-4-12-26-28(3,22)23)16-8-6-15(14-21)7-9-16/h6-11,13,18H,4-5,12H2,1-3H3