sodium 2-[(3,5-dicarboxyphenyl)amino]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[(3,5-dicarboxyphenyl)amino]-5-nitro-benzenesulfonate Openeye Name: sodium 2-(3,5-dicarboxyanilino)-5-nitro-benzenesulfonate CAS Name: sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate IUPAC Name: sodium 2-(3,5-dicarboxyanilino)-5-nitrobenzenesulfonate Traditional Name: sodium 2-(3,5-dicarboxyanilino)-5-nitro-besylate Formula: C14H9N2NaO9S MolecularWeight: 404.28403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])NC2=CC(=CC(=C2)C(=O)O)C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])NC2=CC(=CC(=C2)C(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C14H10N2O9S.Na/c17-13(18)7-3-8(14(19)20)5-9(4-7)15-11-2-1-10(16(21)22)6-12(11)26(23,24)25;/h1-6,15H,(H,17,18)(H,19,20)(H,23,24,25);/q;+1/p-1