trisodium (1Z)-7-acetamido-4-oxidanylidene-1-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (1Z)-7-acetamido-4-oxidanylidene-1-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (1Z)-7-acetamido-4-oxo-1-[[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (1Z)-7-acetamido-4-oxo-1-[[2-sulfonato-4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (1Z)-7-acetamido-4-oxo-1-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (1Z)-7-acetamido-4-keto-1-[[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=C(C2=NNC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC\2=C(C=C1)C(=O)C=C(/C2=N\NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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