5-[[2-azanyl-6-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-1-yl]hydrazinylidene]-6-oxidanylidene-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-[[2-azanyl-6-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-1-yl]hydrazinylidene]-6-oxidanylidene-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-[[2-amino-6-[(2-hydroxy-5-nitro-3-sulfo-phenyl)hydrazono]-5-oxo-7-sulfo-1-naphthyl]hydrazono]-6-oxo-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-[[2-amino-6-[(2-hydroxy-5-nitro-3-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfo-1-naphthalenyl]hydrazinylidene]-6-oxo-3-sulfo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-[[2-amino-6-[(2-hydroxy-5-nitro-3-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-1-yl]hydrazinylidene]-6-oxo-3-sulfocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-[[2-amino-6-[(2-hydroxy-5-nitro-3-sulfo-phenyl)hydrazono]-5-keto-7-sulfo-1-naphthyl]hydrazono]-6-keto-3-sulfo-cyclohexa-1,3-diene-1-carboxylic acid Formula: C23H16N6O16S3 MolecularWeight: 728.59874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C(=O)C(=NNC3=CC(=CC(=C3O)S(=O)(=O)O)[N+](=O)[O-])C(=C2)S(=O)(=O)O)NN=C4C=C(C=C(C4=O)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C2=C1C(=O)C(=NNC3=CC(=CC(=C3O)S(=O)(=O)O)[N+](=O)[O-])C(=C2)S(=O)(=O)O)NN=C4C=C(C=C(C4=O)C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C23H16N6O16S3/c24-13-2-1-10-11(18(13)27-26-15-6-9(46(37,38)39)5-12(20(15)30)23(33)34)7-16(47(40,41)42)19(21(10)31)28-25-14-3-8(29(35)36)4-17(22(14)32)48(43,44)45/h1-7,25,27,32H,24H2,(H,33,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)