trisodium (3E)-4-oxidanylidene-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,2-disulfonate

Systemtic Name: trisodium (3E)-4-oxidanylidene-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,2-disulfonate Openeye Name: trisodium (3E)-4-oxo-3-[(4-sulfonatophenyl)hydrazono]naphthalene-1,2-disulfonate CAS Name: trisodium (3E)-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,2-disulfonate IUPAC Name: trisodium (3E)-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-1,2-disulfonate Traditional Name: trisodium (3E)-4-keto-3-[(4-sulfonatophenyl)hydrazono]naphthalene-1,2-disulfonate Formula: C16H9N2Na3O10S3 MolecularWeight: 554.41437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=NNC3=CC=C(C=C3)S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(/C(=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H12N2O10S3.3Na/c19-14-11-3-1-2-4-12(11)15(30(23,24)25)16(31(26,27)28)13(14)18-17-9-5-7-10(8-6-9)29(20,21)22;;;/h1-8,17H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3/b18-13+;;;