trisodium (3Z)-7-acetamido-4-oxidanylidene-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3Z)-7-acetamido-4-oxidanylidene-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-7-acetamido-4-oxo-3-[[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3Z)-7-acetamido-4-oxo-3-[[2-sulfonato-4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-7-acetamido-4-oxo-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3Z)-7-acetamido-4-keto-3-[[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate Formula: C24H16N5Na3O11S3 MolecularWeight: 715.57505

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=O)/C(=N/NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C2)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H19N5O11S3.3Na/c1-13(30)25-16-4-8-19-14(10-16)11-22(43(38,39)40)23(24(19)31)29-28-20-9-5-17(12-21(20)42(35,36)37)27-26-15-2-6-18(7-3-15)41(32,33)34;;;/h2-12,28H,1H3,(H,25,30)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b27-26?,29-23+;;;