disodium (3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-3-[(4-chlorophenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-3-[(4-chlorophenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C16H9ClN2Na2O7S2 MolecularWeight: 486.8144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C16H11ClN2O7S2.2Na/c17-10-1-3-11(4-2-10)18-19-15-14(28(24,25)26)8-9-7-12(27(21,22)23)5-6-13(9)16(15)20;;/h1-8,18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b19-15-;;