2-(4-bromophenyl)carbonyl-5-(phenylcarbonyl)terephthalic acid

Systemtic Name: 2-(4-bromophenyl)carbonyl-5-(phenylcarbonyl)terephthalic acid Openeye Name: 2-benzoyl-5-(4-bromobenzoyl)terephthalic acid CAS Name: 2-benzoyl-5-[(4-bromophenyl)-oxomethyl]terephthalic acid IUPAC Name: 2-benzoyl-5-(4-bromobenzoyl)terephthalic acid Traditional Name: 2-benzoyl-5-(4-bromobenzoyl)terephthalic acid Formula: C22H13BrO6 MolecularWeight: 453.23902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H13BrO6/c23-14-8-6-13(7-9-14)20(25)16-11-17(21(26)27)15(10-18(16)22(28)29)19(24)12-4-2-1-3-5-12/h1-11H,(H,26,27)(H,28,29)