disodium (3E)-8-azanyl-4-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium (3E)-8-azanyl-4-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (3E)-8-amino-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]naphthalene-2-sulfonate CAS Name: disodium (3E)-8-amino-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (3E)-8-amino-4-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (3E)-8-amino-4-keto-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]naphthalene-2-sulfonate Formula: C22H15N5Na2O7S2 MolecularWeight: 571.49334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=NNC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-])C(=C1)N.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(/C(=N/NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-])C(=C1)N.[Na+].[Na+]

InChI

InChI=1S/C22H17N5O7S2.2Na/c23-19-3-1-2-17-18(19)12-20(36(32,33)34)21(22(17)28)27-26-14-6-4-13(5-7-14)24-25-15-8-10-16(11-9-15)35(29,30)31;;/h1-12,26H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b25-24?,27-21-;;