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

Systemtic Name: N,N'-bis[(4-nitronaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Openeye Name: N,N'-bis[(4-nitro-1-naphthyl)methyl]hexane-1,6-diamine; methanesulfonic acid CAS Name: N,N'-bis[(4-nitro-1-naphthalenyl)methyl]hexane-1,6-diamine; methanesulfonic acid IUPAC Name: N,N'-bis[(4-nitronaphthalen-1-yl)methyl]hexane-1,6-diamine; methanesulfonic acid Traditional Name: mesylic acid; (4-nitro-1-naphthyl)methyl-[6-[(4-nitro-1-naphthyl)methylamino]hexyl]amine Formula: C29H34N4O7S MolecularWeight: 582.66786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])CNCCCCCCNCC3=CC=C(C4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])CNCCCCCCNCC3=CC=C(C4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O4.CH4O3S/c33-31(34)27-15-13-21(23-9-3-5-11-25(23)27)19-29-17-7-1-2-8-18-30-20-22-14-16-28(32(35)36)26-12-6-4-10-24(22)26;1-5(2,3)4/h3-6,9-16,29-30H,1-2,7-8,17-20H2;1H3,(H,2,3,4)