trisodium (6E)-5-azanyl-6-[[4-(2-oxidanidylperoxysulfinylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-7H-naphthalen-7-ide-2-sulfonate

Systemtic Name: trisodium (6E)-5-azanyl-6-[[4-(2-oxidanidylperoxysulfinylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-7H-naphthalen-7-ide-2-sulfonate Openeye Name: trisodium (6E)-5-amino-6-[[4-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]hydrazono]-4-oxo-7H-naphthalen-7-ide-2-sulfonate CAS Name: trisodium (6E)-5-amino-6-[[4-(2-oxidodioxysulfinylethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-7H-naphthalen-7-ide-2-sulfonate IUPAC Name: trisodium (6E)-5-amino-6-[[4-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]hydrazinylidene]-4-oxo-7H-naphthalen-7-ide-2-sulfonate Traditional Name: trisodium (6E)-5-amino-4-keto-6-[[4-(2-oxidoperoxysulfinylethylsulfonyl)phenyl]hydrazono]-7H-naphthalen-7-ide-2-sulfonate Formula: C18H14N3Na3O10S3 MolecularWeight: 597.48217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2[C-]=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)CCS(=O)OO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\[C-]=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)CCS(=O)OO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H16N3O10S3.3Na/c19-18-15(6-1-11-9-14(34(27,28)29)10-16(22)17(11)18)21-20-12-2-4-13(5-3-12)33(25,26)8-7-32(24)31-30-23;;;/h1-5,9-10,20,23H,7-8,19H2,(H,27,28,29);;;/q-1;3*+1/p-2/b21-15+;;;