5-bromanyl-2-[1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-yl]benzoic acid

Systemtic Name: 5-bromanyl-2-[1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-yl]benzoic acid Openeye Name: 5-bromo-2-(2-methoxy-1-methoxycarbonyl-2-oxo-ethyl)benzoic acid CAS Name: 5-bromo-2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)benzoic acid IUPAC Name: 5-bromo-2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)benzoic acid Traditional Name: 5-bromo-2-(1-carbomethoxy-2-keto-2-methoxy-ethyl)benzoic acid Formula: C12H11BrO6 MolecularWeight: 331.11614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C=C(C=C1)Br)C(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C=C(C=C1)Br)C(=O)O)C(=O)OC

InChI

InChI=1S/C12H11BrO6/c1-18-11(16)9(12(17)19-2)7-4-3-6(13)5-8(7)10(14)15/h3-5,9H,1-2H3,(H,14,15)