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

Systemtic Name: 3-[[2,4-bis(azanyl)phenyl]diazenyl]-1-nitro-4-oxidanyl-cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 3-(2,4-diaminophenyl)azo-4-hydroxy-1-nitro-cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 3-(2,4-diaminophenyl)azo-4-hydroxy-1-nitro-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 3-[(2,4-diaminophenyl)diazenyl]-4-hydroxy-1-nitrocyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 3-(2,4-diaminophenyl)azo-4-hydroxy-1-nitro-cyclohexa-2,5-diene-1-sulfonic acid Formula: C12H13N5O6S MolecularWeight: 355.32652

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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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O6S/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)