trisodium 2-[2-(2-oxidanylidene-3,6-disulfonato-naphthalen-1-ylidene)hydrazinyl]benzoate

Systemtic Name: trisodium 2-[2-(2-oxidanylidene-3,6-disulfonato-naphthalen-1-ylidene)hydrazinyl]benzoate Openeye Name: trisodium 2-[2-(2-oxo-3,6-disulfonato-1-naphthylidene)hydrazino]benzoate CAS Name: trisodium 2-[2-(2-oxo-3,6-disulfonato-1-naphthalenylidene)hydrazinyl]benzoate IUPAC Name: trisodium 2-[2-(2-oxo-3,6-disulfonatonaphthalen-1-ylidene)hydrazinyl]benzoate Traditional Name: trisodium 2-[N'-(2-keto-3,6-disulfonato-1-naphthylidene)hydrazino]benzoate Formula: C17H9N2Na3O9S2 MolecularWeight: 518.36067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H12N2O9S2.3Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,18H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3