tetrasodium 5-[[(7Z)-7-[(4-carboxylatophenyl)hydrazinylidene]-8-oxidanylidene-3,6-disulfonato-naphthalen-1-yl]sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: tetrasodium 5-[[(7Z)-7-[(4-carboxylatophenyl)hydrazinylidene]-8-oxidanylidene-3,6-disulfonato-naphthalen-1-yl]sulfamoyl]-2-oxidanyl-benzoate Openeye Name: tetrasodium 5-[[(7Z)-7-[(4-carboxylatophenyl)hydrazono]-8-oxo-3,6-disulfonato-1-naphthyl]sulfamoyl]-2-hydroxy-benzoate CAS Name: tetrasodium 5-[[(7Z)-7-[(4-carboxylatophenyl)hydrazinylidene]-8-oxo-3,6-disulfonato-1-naphthalenyl]sulfamoyl]-2-hydroxybenzoate IUPAC Name: tetrasodium 5-[[(7Z)-7-[(4-carboxylatophenyl)hydrazinylidene]-8-oxo-3,6-disulfonatonaphthalen-1-yl]sulfamoyl]-2-hydroxybenzoate Traditional Name: tetrasodium 5-[[(7Z)-7-[(4-carboxylatophenyl)hydrazono]-8-keto-3,6-disulfonato-1-naphthyl]sulfamoyl]-2-hydroxy-benzoate Formula: C24H13N3Na4O14S3 MolecularWeight: 755.5258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NN=C2C(=CC3=CC(=CC(=C3C2=O)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H17N3O14S3.4Na/c28-18-6-5-14(9-16(18)24(32)33)42(34,35)27-17-10-15(43(36,37)38)7-12-8-19(44(39,40)41)21(22(29)20(12)17)26-25-13-3-1-11(2-4-13)23(30)31;;;;/h1-10,25,27-28H,(H,30,31)(H,32,33)(H,36,37,38)(H,39,40,41);;;;/q;4*+1/p-4/b26-21+;;;;