sodium 5-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]furan-2-sulfonate

Systemtic Name: sodium 5-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]furan-2-sulfonate Openeye Name: sodium 5-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]furan-2-sulfonate CAS Name: sodium 5-[(E)-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]-2-furansulfonate IUPAC Name: sodium 5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate Traditional Name: sodium 5-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]furan-2-sulfonate Formula: C12H8N3NaO7S MolecularWeight: 361.26259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C12H9N3O7S.Na/c16-12(8-1-3-9(4-2-8)15(17)18)14-13-7-10-5-6-11(22-10)23(19,20)21;/h1-7H,(H,14,16)(H,19,20,21);/q;+1/p-1/b13-7+;