2-bromanyl-5-tert-butyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-bromanyl-5-tert-butyl-benzene-1,3-dicarboxylic acid Openeye Name: 2-bromo-5-tert-butyl-benzene-1,3-dicarboxylic acid CAS Name: 2-bromo-5-tert-butylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-bromo-5-tert-butylbenzene-1,3-dicarboxylic acid Traditional Name: 2-bromo-5-tert-butyl-isophthalic acid Formula: C12H13BrO4 MolecularWeight: 301.13322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4/c1-12(2,3)6-4-7(10(14)15)9(13)8(5-6)11(16)17/h4-5H,1-3H3,(H,14,15)(H,16,17)