disodium 3-[3,5-bis(bromanyl)-4-oxidanidyl-phenyl]imino-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium 3-[3,5-bis(bromanyl)-4-oxidanidyl-phenyl]imino-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium 3-(3,5-dibromo-4-oxido-phenyl)imino-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium 3-(3,5-dibromo-4-oxidophenyl)imino-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium 3-(3,5-dibromo-4-oxidophenyl)imino-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium 3-(3,5-dibromo-4-oxido-phenyl)imino-6-keto-cyclohexa-1,4-diene-1-carboxylate Formula: C13H5Br2NNa2O4 MolecularWeight: 444.97064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=NC2=CC(=C(C(=C2)Br)[O-])Br)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=O)C(=CC1=NC2=CC(=C(C(=C2)Br)[O-])Br)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H7Br2NO4.2Na/c14-9-4-7(5-10(15)12(9)18)16-6-1-2-11(17)8(3-6)13(19)20;;/h1-5,18H,(H,19,20);;/q;2*+1/p-2