5-butoxybenzene-1,3-dicarboxylic acid

Systemtic Name: 5-butoxybenzene-1,3-dicarboxylic acid Openeye Name: 5-butoxybenzene-1,3-dicarboxylic acid CAS Name: 5-butoxybenzene-1,3-dicarboxylic acid IUPAC Name: 5-butoxybenzene-1,3-dicarboxylic acid Traditional Name: 5-butoxyisophthalic acid Formula: C12H14O5 MolecularWeight: 238.23656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O5/c1-2-3-4-17-10-6-8(11(13)14)5-9(7-10)12(15)16/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)