tetrasodium 6-azanylidene-4-oxidanylidene-5-[2-(2-sulfonatophenyl)hydrazinyl]naphthalene-2-sulfonate

Systemtic Name: tetrasodium 6-azanylidene-4-oxidanylidene-5-[2-(2-sulfonatophenyl)hydrazinyl]naphthalene-2-sulfonate Openeye Name: tetrasodium 6-imino-4-oxo-5-[2-(2-sulfonatophenyl)hydrazino]naphthalene-2-sulfonate CAS Name: tetrasodium 6-imino-4-oxo-5-[(2-sulfonatophenyl)hydrazo]-2-naphthalenesulfonate IUPAC Name: tetrasodium 6-imino-4-oxo-5-[2-(2-sulfonatophenyl)hydrazinyl]naphthalene-2-sulfonate Traditional Name: tetrasodium 6-imino-4-keto-5-[N'-(2-sulfonatophenyl)hydrazino]naphthalene-2-sulfonate Formula: C32H22N6Na4O14S4 MolecularWeight: 934.76796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)[O-].C1=CC=C(C(=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)[O-].C1=CC=C(C(=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C16H13N3O7S2.4Na/c2*17-11-6-5-9-7-10(27(21,22)23)8-13(20)15(9)16(11)19-18-12-3-1-2-4-14(12)28(24,25)26;;;;/h2*1-8,17-19H,(H,21,22,23)(H,24,25,26);;;;/q;;4*+1/p-4