4-[[(7E)-1-azanyl-8-oxidanylidene-7-(phenylhydrazinylidene)-3,6-disulfo-naphthalen-2-yl]diazenyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[[(7E)-1-azanyl-8-oxidanylidene-7-(phenylhydrazinylidene)-3,6-disulfo-naphthalen-2-yl]diazenyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[[(7E)-1-amino-8-oxo-7-(phenylhydrazono)-3,6-disulfo-2-naphthyl]azo]-N-hydroxy-benzeneamine oxide CAS Name: 4-[[(7E)-1-amino-8-oxo-7-(phenylhydrazinylidene)-3,6-disulfo-2-naphthalenyl]azo]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[[(7E)-1-amino-8-oxo-7-(phenylhydrazinylidene)-3,6-disulfonaphthalen-2-yl]diazenyl]-N-hydroxybenzeneamine oxide Traditional Name: 4-[[(7E)-1-amino-8-keto-7-(phenylhydrazono)-3,6-disulfo-2-naphthyl]azo]-N-hydroxy-benzeneamine oxide Formula: C22H18N6O9S2 MolecularWeight: 574.54312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[NH+](O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O9S2/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31/h1-11,24,28,30H,23H2,(H,32,33,34)(H,35,36,37)/b26-25?,27-21-