4-(2-methylpropyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(2-methylpropyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-isobutylbenzene-1,3-dicarboxylic acid CAS Name: 4-(2-methylpropyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-(2-methylpropyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-isobutylisophthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4/c1-7(2)5-8-3-4-9(11(13)14)6-10(8)12(15)16/h3-4,6-7H,5H2,1-2H3,(H,13,14)(H,15,16)