2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-3-oxo-butanoic acid CAS Name: 2-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3-oxobutanoic acid IUPAC Name: 2-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-3-oxobutanoic acid Traditional Name: 2-(2-bromo-3,4,5-trimethoxy-benzyl)-3-keto-butyric acid Formula: C14H17BrO6 MolecularWeight: 361.18518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=C(C(=C1Br)OC)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)C(CC1=CC(=C(C(=C1Br)OC)OC)OC)C(=O)O

InChI

InChI=1S/C14H17BrO6/c1-7(16)9(14(17)18)5-8-6-10(19-2)12(20-3)13(21-4)11(8)15/h6,9H,5H2,1-4H3,(H,17,18)