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

Systemtic Name: trisodium (4Z)-4-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (4Z)-4-[(4-methyl-2-sulfonato-phenyl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (4Z)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (4Z)-4-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (4Z)-3-keto-4-[(4-methyl-2-sulfonato-phenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C17H11N2Na3O10S3 MolecularWeight: 568.44095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=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

CC1=CC(=C(C=C1)N/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/C17H14N2O10S3.3Na/c1-9-2-5-13(14(6-9)31(24,25)26)18-19-16-12-4-3-11(30(21,22)23)7-10(12)8-15(17(16)20)32(27,28)29;;;/h2-8,18H,1H3,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b19-16-;;;