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

Systemtic Name: 1,2-bis(4-butylphenyl)guanidine; methanesulfonic acid Openeye Name: 1,2-bis(4-butylphenyl)guanidine; methanesulfonic acid CAS Name: 1,2-bis(4-butylphenyl)guanidine; methanesulfonic acid IUPAC Name: 1,2-bis(4-butylphenyl)guanidine; methanesulfonic acid Traditional Name: 1,2-bis(4-butylphenyl)guanidine; mesylic acid Formula: C22H33N3O3S MolecularWeight: 419.58072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)CCCC)N.CS(=O)(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)CCCC)N.CS(=O)(=O)O

InChI

InChI=1S/C21H29N3.CH4O3S/c1-3-5-7-17-9-13-19(14-10-17)23-21(22)24-20-15-11-18(12-16-20)8-6-4-2;1-5(2,3)4/h9-16H,3-8H2,1-2H3,(H3,22,23,24);1H3,(H,2,3,4)