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

Systemtic Name: N,N'-bis[(4-butylsulfanylnaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Openeye Name: N,N'-bis[(4-butylsulfanyl-1-naphthyl)methyl]hexane-1,6-diamine; methanesulfonic acid CAS Name: N,N'-bis[[4-(butylthio)-1-naphthalenyl]methyl]hexane-1,6-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[(4-butylsulfanylnaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Traditional Name: [4-(butylthio)-1-naphthyl]methyl-[6-[[4-(butylthio)-1-naphthyl]methylamino]hexyl]amine; mesylic acid Formula: C37H52N2O3S3 MolecularWeight: 669.01538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C2=CC=CC=C21)CNCCCCCCNCC3=CC=C(C4=CC=CC=C34)SCCCC.CS(=O)(=O)O

Isomeric SMILES

CCCCSC1=CC=C(C2=CC=CC=C21)CNCCCCCCNCC3=CC=C(C4=CC=CC=C34)SCCCC.CS(=O)(=O)O

InChI

InChI=1S/C36H48N2S2.CH4O3S/c1-3-5-25-39-35-21-19-29(31-15-9-11-17-33(31)35)27-37-23-13-7-8-14-24-38-28-30-20-22-36(40-26-6-4-2)34-18-12-10-16-32(30)34;1-5(2,3)4/h9-12,15-22,37-38H,3-8,13-14,23-28H2,1-2H3;1H3,(H,2,3,4)