methanesulfonic acid; 1-methyl-1,2-bis(4-phenylmethoxyphenyl)guanidine

Systemtic Name: methanesulfonic acid; 1-methyl-1,2-bis(4-phenylmethoxyphenyl)guanidine Openeye Name: 1,2-bis(4-benzyloxyphenyl)-1-methyl-guanidine; methanesulfonic acid CAS Name: methanesulfonic acid; 1-methyl-1,2-bis(4-phenylmethoxyphenyl)guanidine IUPAC Name: methanesulfonic acid; 1-methyl-1,2-bis(4-phenylmethoxyphenyl)guanidine Traditional Name: 1,2-bis(4-benzoxyphenyl)-1-methyl-guanidine; mesylic acid Formula: C29H31N3O5S MolecularWeight: 533.63854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N.CS(=O)(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=NC3=CC=C(C=C3)OCC4=CC=CC=C4)N.CS(=O)(=O)O

InChI

InChI=1S/C28H27N3O2.CH4O3S/c1-31(25-14-18-27(19-15-25)33-21-23-10-6-3-7-11-23)28(29)30-24-12-16-26(17-13-24)32-20-22-8-4-2-5-9-22;1-5(2,3)4/h2-19H,20-21H2,1H3,(H2,29,30);1H3,(H,2,3,4)