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

Systemtic Name: N,N'-bis[(4-chloranyl-1-methoxy-naphthalen-2-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Openeye Name: N,N'-bis[(4-chloro-1-methoxy-2-naphthyl)methyl]hexane-1,6-diamine; methanesulfonic acid CAS Name: N,N'-bis[(4-chloro-1-methoxy-2-naphthalenyl)methyl]hexane-1,6-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[(4-chloro-1-methoxynaphthalen-2-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Traditional Name: (4-chloro-1-methoxy-2-naphthyl)methyl-[6-[(4-chloro-1-methoxy-2-naphthyl)methylamino]hexyl]amine; mesylic acid Formula: C31H38Cl2N2O5S MolecularWeight: 621.61482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CC=CC=C21)Cl)CNCCCCCCNCC3=C(C4=CC=CC=C4C(=C3)Cl)OC.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CC=CC=C21)Cl)CNCCCCCCNCC3=C(C4=CC=CC=C4C(=C3)Cl)OC.CS(=O)(=O)O

InChI

InChI=1S/C30H34Cl2N2O2.CH4O3S/c1-35-29-21(17-27(31)23-11-5-7-13-25(23)29)19-33-15-9-3-4-10-16-34-20-22-18-28(32)24-12-6-8-14-26(24)30(22)36-2;1-5(2,3)4/h5-8,11-14,17-18,33-34H,3-4,9-10,15-16,19-20H2,1-2H3;1H3,(H,2,3,4)