trisodium (6E)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (6E)-4-azanyl-3-[(4-nitrophenyl)diazenyl]-5-oxidanylidene-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (6E)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (6E)-4-amino-3-(4-nitrophenyl)azo-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (6E)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (6E)-4-amino-5-keto-3-(4-nitrophenyl)azo-6-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C22H13N6Na3O12S3 MolecularWeight: 718.53593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H16N6O12S3.3Na/c23-19-18-11(9-16(42(35,36)37)20(19)26-24-12-1-5-14(6-2-12)28(30)31)10-17(43(38,39)40)21(22(18)29)27-25-13-3-7-15(8-4-13)41(32,33)34;;;/h1-10,25H,23H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b26-24?,27-21-;;;