3-bromanyl-4-(3,4-dicarboxyphenyl)carbonyl-phthalic acid

Systemtic Name: 3-bromanyl-4-(3,4-dicarboxyphenyl)carbonyl-phthalic acid Openeye Name: 3-bromo-4-(3,4-dicarboxybenzoyl)phthalic acid CAS Name: 3-bromo-4-[(3,4-dicarboxyphenyl)-oxomethyl]phthalic acid IUPAC Name: 3-bromo-4-(3,4-dicarboxybenzoyl)phthalic acid Traditional Name: 3-bromo-4-(3,4-dicarboxybenzoyl)phthalic acid Formula: C17H9BrO9 MolecularWeight: 437.15196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)Br)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C17H9BrO9/c18-12-9(4-3-8(15(22)23)11(12)17(26)27)13(19)6-1-2-7(14(20)21)10(5-6)16(24)25/h1-5H,(H,20,21)(H,22,23)(H,24,25)(H,26,27)