methanesulfonic acid; 3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium

Systemtic Name: methanesulfonic acid; 3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium Openeye Name: 2,12-dibenzyloxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; methanesulfonic acid CAS Name: methanesulfonic acid; 3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium IUPAC Name: methanesulfonic acid; 3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium Traditional Name: 2,12-dibenzoxy-3,8,9-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium; mesylic acid Formula: C36H36NO8S+ MolecularWeight: 642.73794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC)OC.CS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC)OC.CS(=O)(=O)O

InChI

InChI=1S/C35H32NO5.CH4O3S/c1-36-20-25-15-31(37-2)32(38-3)16-26(25)28-18-30(40-21-23-11-7-5-8-12-23)27-17-34(33(39-4)19-29(27)35(28)36)41-22-24-13-9-6-10-14-24;1-5(2,3)4/h5-20H,21-22H2,1-4H3;1H3,(H,2,3,4)/q+1;