disodium (5Z)-5-[(4-nitrophenyl)hydrazinylidene]-6-oxidanylidene-3-[(6-sulfonatonaphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: disodium (5Z)-5-[(4-nitrophenyl)hydrazinylidene]-6-oxidanylidene-3-[(6-sulfonatonaphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-carboxylate Openeye Name: disodium (5Z)-5-[(4-nitrophenyl)hydrazono]-6-oxo-3-[(6-sulfonato-1-naphthyl)azo]cyclohexa-1,3-diene-1-carboxylate CAS Name: disodium (5Z)-5-[(4-nitrophenyl)hydrazinylidene]-6-oxo-3-[(6-sulfonato-1-naphthalenyl)azo]-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: disodium (5Z)-5-[(4-nitrophenyl)hydrazinylidene]-6-oxo-3-[(6-sulfonatonaphthalen-1-yl)diazenyl]cyclohexa-1,3-diene-1-carboxylate Traditional Name: disodium (5Z)-6-keto-5-[(4-nitrophenyl)hydrazono]-3-[(6-sulfonato-1-naphthyl)azo]cyclohexa-1,3-diene-1-carboxylate Formula: C23H13N5Na2O8S MolecularWeight: 565.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)N=NC3=CC(=NNC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C(=C3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C(=C1)N=NC3=C/C(=N/NC4=CC=C(C=C4)[N+](=O)[O-])/C(=O)C(=C3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H15N5O8S.2Na/c29-22-19(23(30)31)11-15(12-21(22)27-24-14-4-6-16(7-5-14)28(32)33)25-26-20-3-1-2-13-10-17(37(34,35)36)8-9-18(13)20;;/h1-12,24H,(H,30,31)(H,34,35,36);;/q;2*+1/p-2/b26-25?,27-21-;;