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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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