3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]imino-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]imino-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-(3,5-dibromo-4-hydroxy-phenyl)imino-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-(3,5-dibromo-4-hydroxyphenyl)imino-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-(3,5-dibromo-4-hydroxyphenyl)imino-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-(3,5-dibromo-4-hydroxy-phenyl)imino-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C13H7Br2NO4 MolecularWeight: 401.00698

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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

Isomeric SMILES

C1=CC(=O)C(=CC1=NC2=CC(=C(C(=C2)Br)O)Br)C(=O)O

InChI

InChI=1S/C13H7Br2NO4/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)