disodium (3E)-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium (3E)-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3E)-3-[[2-methoxy-5-methyl-4-(4-nitro-2-sulfonato-phenyl)azo-phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3E)-3-[[2-methoxy-5-methyl-4-(4-nitro-2-sulfonatophenyl)azophenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3E)-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3E)-6-keto-3-[[2-methoxy-5-methyl-4-(4-nitro-2-sulfonato-phenyl)azo-phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C21H15N5Na2O9S MolecularWeight: 559.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])OC)NN=C3C=CC(=O)C(=C3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])OC)N/N=C/3\C=CC(=O)C(=C3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H17N5O9S.2Na/c1-11-7-17(25-22-12-3-6-18(27)14(8-12)21(28)29)19(35-2)10-16(11)24-23-15-5-4-13(26(30)31)9-20(15)36(32,33)34;;/h3-10,25H,1-2H3,(H,28,29)(H,32,33,34);;/q;2*+1/p-2/b22-12+,24-23?;;