sodium 3-[[2,4-bis(azanyl)phenyl]diazenyl]-1-nitro-4-oxidanyl-cyclohexa-2,5-diene-1-sulfonate

Systemtic Name: sodium 3-[[2,4-bis(azanyl)phenyl]diazenyl]-1-nitro-4-oxidanyl-cyclohexa-2,5-diene-1-sulfonate Openeye Name: sodium 3-(2,4-diaminophenyl)azo-4-hydroxy-1-nitro-cyclohexa-2,5-diene-1-sulfonate CAS Name: sodium 3-(2,4-diaminophenyl)azo-4-hydroxy-1-nitro-1-cyclohexa-2,5-dienesulfonate IUPAC Name: sodium 3-[(2,4-diaminophenyl)diazenyl]-4-hydroxy-1-nitrocyclohexa-2,5-diene-1-sulfonate Traditional Name: sodium 3-(2,4-diaminophenyl)azo-4-hydroxy-1-nitro-cyclohexa-2,5-diene-1-sulfonate Formula: C12H12N5NaO6S MolecularWeight: 377.30835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=C(C1O)N=NC2=C(C=C(C=C2)N)N)([N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(C=C(C1O)N=NC2=C(C=C(C=C2)N)N)([N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H13N5O6S.Na/c13-7-1-2-9(8(14)5-7)15-16-10-6-12(17(19)20,24(21,22)23)4-3-11(10)18;/h1-6,11,18H,13-14H2,(H,21,22,23);/q;+1/p-1