3-[3-(2-bromanyl-1,1-dimethoxy-ethyl)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-(2-bromanyl-1,1-dimethoxy-ethyl)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(2-bromo-1,1-dimethoxy-ethyl)phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-(2-bromo-1,1-dimethoxyethyl)phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-(2-bromo-1,1-dimethoxyethyl)phenyl]-3-oxopropanoic acid Traditional Name: 3-[3-(2-bromo-1,1-dimethoxy-ethyl)phenyl]-3-keto-propionic acid Formula: C13H15BrO5 MolecularWeight: 331.1592

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Descriptors Computed from Structure

Canonical SMILES:

COC(CBr)(C1=CC=CC(=C1)C(=O)CC(=O)O)OC

Isomeric SMILES

COC(CBr)(C1=CC=CC(=C1)C(=O)CC(=O)O)OC

InChI

InChI=1S/C13H15BrO5/c1-18-13(8-14,19-2)10-5-3-4-9(6-10)11(15)7-12(16)17/h3-6H,7-8H2,1-2H3,(H,16,17)