2-tert-butylbenzene-1,3-dicarboxylic acid

Systemtic Name: 2-tert-butylbenzene-1,3-dicarboxylic acid Openeye Name: 2-tert-butylbenzene-1,3-dicarboxylic acid CAS Name: 2-tert-butylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-tert-butylbenzene-1,3-dicarboxylic acid Traditional Name: 2-tert-butylisophthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4/c1-12(2,3)9-7(10(13)14)5-4-6-8(9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)