5-(2-methylpropyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-methylpropyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-isobutylbenzene-1,3-dicarboxylic acid CAS Name: 5-(2-methylpropyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(2-methylpropyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-isobutylisophthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-7(2)3-8-4-9(11(13)14)6-10(5-8)12(15)16/h4-7H,3H2,1-2H3,(H,13,14)(H,15,16)