disodium 4-[(E)-phenylsulfonyliminomethyl]pyridine-2,6-dicarboxylic acid

Systemtic Name: disodium 4-[(E)-phenylsulfonyliminomethyl]pyridine-2,6-dicarboxylic acid Openeye Name: disodium 4-[(E)-benzenesulfonyliminomethyl]pyridine-2,6-dicarboxylic acid CAS Name: disodium 4-[(E)-benzenesulfonyliminomethyl]pyridine-2,6-dicarboxylic acid IUPAC Name: disodium 4-[(E)-benzenesulfonyliminomethyl]pyridine-2,6-dicarboxylic acid Traditional Name: disodium 4-[(E)-besyliminomethyl]dipicolinic acid Formula: C14H10N2Na2O6S+2 MolecularWeight: 380.28354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/N=C/C2=CC(=NC(=C2)C(=O)O)C(=O)O.[Na+].[Na+]

InChI

InChI=1S/C14H10N2O6S.2Na/c17-13(18)11-6-9(7-12(16-11)14(19)20)8-15-23(21,22)10-4-2-1-3-5-10;;/h1-8H,(H,17,18)(H,19,20);;/q;2*+1/b15-8+;;