2-[2-bromanyl-3-(2-carboxy-3-oxidanyl-3-oxidanylidene-propanoyl)phenyl]carbonylpropanedioic acid

Systemtic Name: 2-[2-bromanyl-3-(2-carboxy-3-oxidanyl-3-oxidanylidene-propanoyl)phenyl]carbonylpropanedioic acid Openeye Name: 2-[2-bromo-3-(2-carboxy-3-hydroxy-3-oxo-propanoyl)benzoyl]propanedioic acid CAS Name: 2-[[2-bromo-3-(2-carboxy-3-hydroxy-1,3-dioxopropyl)phenyl]-oxomethyl]propanedioic acid IUPAC Name: 2-[2-bromo-3-(2-carboxy-3-hydroxy-3-oxopropanoyl)benzoyl]propanedioic acid Traditional Name: 2-[2-bromo-3-(2-carboxy-3-hydroxy-3-keto-propanoyl)benzoyl]malonic acid Formula: C14H9BrO10 MolecularWeight: 417.11926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrO10/c15-8-4(9(16)6(11(18)19)12(20)21)2-1-3-5(8)10(17)7(13(22)23)14(24)25/h1-3,6-7H,(H,18,19)(H,20,21)(H,22,23)(H,24,25)