trisodium (4Z)-3-oxidanylidene-4-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (4Z)-3-oxidanylidene-4-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (4Z)-3-oxo-4-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (4Z)-3-oxo-4-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (4Z)-3-oxo-4-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (4Z)-3-keto-4-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C16H9N2Na3O10S3 MolecularWeight: 554.41437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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