N,N'-bis[2-(4-propoxynaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis[2-(4-propoxynaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Openeye Name: N,N'-bis[2-(4-propoxy-1-naphthyl)ethyl]butane-1,4-diamine; methanesulfonic acid CAS Name: N,N'-bis[2-(4-propoxy-1-naphthalenyl)ethyl]butane-1,4-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[2-(4-propoxynaphthalen-1-yl)ethyl]butane-1,4-diamine; methanesulfonic acid Traditional Name: mesylic acid; 2-(4-propoxy-1-naphthyl)ethyl-[4-[2-(4-propoxy-1-naphthyl)ethylamino]butyl]amine Formula: C35H48N2O5S MolecularWeight: 608.83102

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C2=CC=CC=C21)CCNCCCCNCCC3=CC=C(C4=CC=CC=C34)OCCC.CS(=O)(=O)O

Isomeric SMILES

CCCOC1=CC=C(C2=CC=CC=C21)CCNCCCCNCCC3=CC=C(C4=CC=CC=C34)OCCC.CS(=O)(=O)O

InChI

InChI=1S/C34H44N2O2.CH4O3S/c1-3-25-37-33-17-15-27(29-11-5-7-13-31(29)33)19-23-35-21-9-10-22-36-24-20-28-16-18-34(38-26-4-2)32-14-8-6-12-30(28)32;1-5(2,3)4/h5-8,11-18,35-36H,3-4,9-10,19-26H2,1-2H3;1H3,(H,2,3,4)