sodium 4-[bis[(3-nitrophenyl)methyl]amino]benzenesulfonate

Systemtic Name: sodium 4-[bis[(3-nitrophenyl)methyl]amino]benzenesulfonate Openeye Name: sodium 4-[bis[(3-nitrophenyl)methyl]amino]benzenesulfonate CAS Name: sodium 4-[bis[(3-nitrophenyl)methyl]amino]benzenesulfonate IUPAC Name: sodium 4-[bis[(3-nitrophenyl)methyl]amino]benzenesulfonate Traditional Name: sodium 4-[bis(3-nitrobenzyl)amino]besylate Formula: C20H16N3NaO7S MolecularWeight: 465.41171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN(CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN(CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H17N3O7S.Na/c24-22(25)18-5-1-3-15(11-18)13-21(14-16-4-2-6-19(12-16)23(26)27)17-7-9-20(10-8-17)31(28,29)30;/h1-12H,13-14H2,(H,28,29,30);/q;+1/p-1