sodium 3-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: sodium 3-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: sodium 3-[[4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: sodium 3-[[4-[[[2-methoxy-4-(3-sulfophenyl)azoanilino]-oxomethyl]amino]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: sodium 3-[[4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: sodium 6-keto-3-[[4-[[2-methoxy-4-(3-sulfophenyl)azo-phenyl]carbamoylamino]phenyl]hydrazono]cyclohexa-1,4-diene-1-carboxylic acid Formula: C27H22N6NaO8S+ MolecularWeight: 613.55375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=CC=C(C=C3)NN=C4C=CC(=O)C(=C4)C(=O)O.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=CC=C(C=C3)NN=C4C=CC(=O)C(=C4)C(=O)O.[Na+]

InChI

InChI=1S/C27H22N6O8S.Na/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;/h2-15,30H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);/q;+1