3-bromanyl-4-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

Systemtic Name: 3-bromanyl-4-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Openeye Name: 4-benzoyl-3-bromo-cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid CAS Name: 4-benzoyl-3-bromocyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid IUPAC Name: 4-benzoyl-3-bromocyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Traditional Name: 4-benzoyl-3-bromo-cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Formula: C17H11BrO9 MolecularWeight: 439.16784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrO9/c18-11-9(10(19)8-4-2-1-3-5-8)6-7-16(12(20)21,13(22)23)17(11,14(24)25)15(26)27/h1-7H,(H,20,21)(H,22,23)(H,24,25)(H,26,27)