4-butylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-butylbenzene-1,3-dicarboxylic acid Openeye Name: 4-butylbenzene-1,3-dicarboxylic acid CAS Name: 4-butylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-butylbenzene-1,3-dicarboxylic acid Traditional Name: 4-butylisophthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4/c1-2-3-4-8-5-6-9(11(13)14)7-10(8)12(15)16/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)