disodium 2-[(2E)-2-(7-azanyl-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]benzoate

Systemtic Name: disodium 2-[(2E)-2-(7-azanyl-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene)hydrazinyl]benzoate Openeye Name: disodium 2-[(2E)-2-(7-amino-1-oxo-3-sulfonato-2-naphthylidene)hydrazino]benzoate CAS Name: disodium 2-[(2E)-2-(7-amino-1-oxo-3-sulfonato-2-naphthalenylidene)hydrazinyl]benzoate IUPAC Name: disodium 2-[(2E)-2-(7-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]benzoate Traditional Name: disodium 2-[(N'E)-N'-(7-amino-1-keto-3-sulfonato-2-naphthylidene)hydrazino]benzoate Formula: C17H11N3Na2O6S MolecularWeight: 431.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NN=C2C(=CC3=C(C2=O)C=C(C=C3)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N/N=C\2/C(=CC3=C(C2=O)C=C(C=C3)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H13N3O6S.2Na/c18-10-6-5-9-7-14(27(24,25)26)15(16(21)12(9)8-10)20-19-13-4-2-1-3-11(13)17(22)23;;/h1-8,19H,18H2,(H,22,23)(H,24,25,26);;/q;2*+1/p-2/b20-15-;;