2-[2-[4-[2-(4-dimethylaminophenyl)ethynyl]phenoxy]ethoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-[4-[2-(4-dimethylaminophenyl)ethynyl]phenoxy]ethoxy]ethyl methanesulfonate Openeye Name: 2-[2-[4-[2-(4-dimethylaminophenyl)ethynyl]phenoxy]ethoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[4-[2-(4-dimethylaminophenyl)ethynyl]phenoxy]ethoxy]ethyl ester IUPAC Name: 2-[2-[4-[2-(4-dimethylaminophenyl)ethynyl]phenoxy]ethoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[4-[2-(4-dimethylaminophenyl)ethynyl]phenoxy]ethoxy]ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)OCCOCCOS(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)OCCOCCOS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-22(2)20-10-6-18(7-11-20)4-5-19-8-12-21(13-9-19)26-16-14-25-15-17-27-28(3,23)24/h6-13H,14-17H2,1-3H3