disodium (3E)-3-[[4-[4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3E)-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3E)-6-keto-3-[[4-[4-[[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-yl]azo]phenyl]phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C29H20N6Na2O7S MolecularWeight: 642.54964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C3=CC=C(C=C3)NN=C4C=CC(=O)C(=C4)C(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N/N=C/4\C=CC(=O)C(=C4)C(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C29H22N6O7S.2Na/c1-17-27(28(37)35(34-17)23-11-13-24(14-12-23)43(40,41)42)33-31-21-8-4-19(5-9-21)18-2-6-20(7-3-18)30-32-22-10-15-26(36)25(16-22)29(38)39;;/h2-16,27,30H,1H3,(H,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-22+,33-31?;;