disodium (5E)-6-oxidanylidene-5-[(3-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium (5E)-6-oxidanylidene-5-[(3-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (5E)-6-oxo-5-[(3-sulfophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: disodium (5E)-6-oxo-5-[(3-sulfophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (5E)-6-oxo-5-[(3-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (5E)-6-keto-5-[(3-sulfophenyl)hydrazono]naphthalene-2-sulfonate Formula: C32H22N4Na2O14S4 MolecularWeight: 860.77502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)O)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)N/N=C\2/C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)O)N/N=C\2/C(=O)C=CC3=C2C=CC(=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C16H12N2O7S2.2Na/c2*19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22;;/h2*1-9,17H,(H,20,21,22)(H,23,24,25);;/q;;2*+1/p-2/b2*18-16+;;