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

Systemtic Name: disodium (3Z)-5-methyl-6-oxidanylidene-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3Z)-5-methyl-6-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3Z)-5-methyl-6-oxo-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3Z)-5-methyl-6-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3Z)-6-keto-5-methyl-3-[[4-(4-sulfonatophenyl)azophenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C20H14N4Na2O6S MolecularWeight: 484.3929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C(C1=O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C/C(=N/NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])/C=C(C1=O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H16N4O6S.2Na/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30;;/h2-11,23H,1H3,(H,26,27)(H,28,29,30);;/q;2*+1/p-2/b22-21?,24-16-;;