sodium 3-[(4-nitro-2-sulfo-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: sodium 3-[(4-nitro-2-sulfo-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: sodium 3-[(4-nitro-2-sulfo-phenyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: sodium 3-[(4-nitro-2-sulfophenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: sodium 3-[(4-nitro-2-sulfophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: sodium 6-keto-3-[(4-nitro-2-sulfo-phenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylic acid Formula: C13H9N3NaO8S+ MolecularWeight: 390.28063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O.[Na+]

InChI

InChI=1S/C13H9N3O8S.Na/c17-11-4-1-7(5-9(11)13(18)19)14-15-10-3-2-8(16(20)21)6-12(10)25(22,23)24;/h1-6,15H,(H,18,19)(H,22,23,24);/q;+1