diazanium (3E)-7-benzamido-4-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: diazanium (3E)-7-benzamido-4-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: diammonium (3E)-7-benzamido-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]naphthalene-2-sulfonate CAS Name: diammonium (3E)-7-benzamido-4-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: diazanium (3E)-7-benzamido-4-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: diammonium (3E)-7-benzamido-4-keto-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]naphthalene-2-sulfonate Formula: C29H27N7O8S2 MolecularWeight: 665.69678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)/C(=N\NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])/C(=C3)S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C29H21N5O8S2.2H3N/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,33H,(H,30,36)(H,37,38,39)(H,40,41,42);2*1H3/b32-31?,34-27-;;