3-bromanyl-2-(2-methylpropoxycarbonyl)benzoic acid

Systemtic Name: 3-bromanyl-2-(2-methylpropoxycarbonyl)benzoic acid Openeye Name: 3-bromo-2-isobutoxycarbonyl-benzoic acid CAS Name: 3-bromo-2-[2-methylpropoxy(oxo)methyl]benzoic acid IUPAC Name: 3-bromo-2-(2-methylpropoxycarbonyl)benzoic acid Traditional Name: 3-bromo-2-isobutoxycarbonyl-benzoic acid Formula: C12H13BrO4 MolecularWeight: 301.13322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=CC=C1Br)C(=O)O

Isomeric SMILES

CC(C)COC(=O)C1=C(C=CC=C1Br)C(=O)O

InChI

InChI=1S/C12H13BrO4/c1-7(2)6-17-12(16)10-8(11(14)15)4-3-5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)