5-[(4-nitro-2-sulfonato-phenyl)amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(4-nitro-2-sulfonato-phenyl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-(4-nitro-2-sulfonato-anilino)benzene-1,3-dicarboxylate CAS Name: 5-(4-nitro-2-sulfonatoanilino)benzene-1,3-dicarboxylate IUPAC Name: 5-(4-nitro-2-sulfonatoanilino)benzene-1,3-dicarboxylate Traditional Name: 5-(4-nitro-2-sulfonato-anilino)isophthalate Formula: C14H7N2O9S-3 MolecularWeight: 379.27838

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O9S/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)/p-3