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

Systemtic Name: disodium (3E)-3-[[4-[(3-aminophenyl)carbonylamino]-5-methoxy-2-methyl-phenyl]hydrazinylidene]-6-oxidanylidene-5-sulfonato-cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3E)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methyl-phenyl]hydrazono]-6-oxo-5-sulfonato-cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3E)-3-[[4-[[(3-aminophenyl)-oxomethyl]amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfonato-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3E)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]hydrazinylidene]-6-oxo-5-sulfonatocyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3E)-3-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methyl-phenyl]hydrazono]-6-keto-5-sulfonato-cyclohexa-1,4-diene-1-carboxylate Formula: C22H18N4Na2O8S MolecularWeight: 544.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C=C(C(=O)C(=C2)S(=O)(=O)[O-])C(=O)[O-])OC)NC(=O)C3=CC(=CC=C3)N.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N/N=C/2\C=C(C(=O)C(=C2)S(=O)(=O)[O-])C(=O)[O-])OC)NC(=O)C3=CC(=CC=C3)N.[Na+].[Na+]

InChI

InChI=1S/C22H20N4O8S.2Na/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33;;/h3-10,26H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33);;/q;2*+1/p-2/b25-14+;;