2,3-dinitrobenzenesulfonate; methyl(octadecyl)azanium

Systemtic Name: 2,3-dinitrobenzenesulfonate; methyl(octadecyl)azanium Openeye Name: 2,3-dinitrobenzenesulfonate; methyl(octadecyl)ammonium CAS Name: 2,3-dinitrobenzenesulfonate; methyl(octadecyl)ammonium IUPAC Name: 2,3-dinitrobenzenesulfonate; methyl(octadecyl)azanium Traditional Name: 2,3-dinitrobesylate; methyl(stearyl)ammonium Formula: C25H45N3O7S MolecularWeight: 531.7057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]C.C1=CC(=C(C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]C.C1=CC(=C(C(=C1)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H41N.C6H4N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h20H,3-19H2,1-2H3;1-3H,(H,13,14,15)