N,N'-bis[(2,4-diethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis[(2,4-diethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Openeye Name: N,N'-bis[(2,4-diethoxy-1-naphthyl)methyl]hexane-1,6-diamine; methanesulfonic acid CAS Name: N,N'-bis[(2,4-diethoxy-1-naphthalenyl)methyl]hexane-1,6-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[(2,4-diethoxynaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Traditional Name: (2,4-diethoxy-1-naphthyl)methyl-[6-[(2,4-diethoxy-1-naphthyl)methylamino]hexyl]amine; mesylic acid Formula: C37H52N2O7S MolecularWeight: 668.88298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C2=CC=CC=C21)CNCCCCCCNCC3=C(C=C(C4=CC=CC=C43)OCC)OCC)OCC.CS(=O)(=O)O

Isomeric SMILES

CCOC1=CC(=C(C2=CC=CC=C21)CNCCCCCCNCC3=C(C=C(C4=CC=CC=C43)OCC)OCC)OCC.CS(=O)(=O)O

InChI

InChI=1S/C36H48N2O4.CH4O3S/c1-5-39-33-23-35(41-7-3)31(27-17-11-13-19-29(27)33)25-37-21-15-9-10-16-22-38-26-32-28-18-12-14-20-30(28)34(40-6-2)24-36(32)42-8-4;1-5(2,3)4/h11-14,17-20,23-24,37-38H,5-10,15-16,21-22,25-26H2,1-4H3;1H3,(H,2,3,4)