3-propylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 3-propylbenzene-1,2,4-tricarboxylic acid Openeye Name: 3-propylbenzene-1,2,4-tricarboxylic acid CAS Name: 3-propylbenzene-1,2,4-tricarboxylic acid IUPAC Name: 3-propylbenzene-1,2,4-tricarboxylic acid Traditional Name: 3-propyltrimellitic acid Formula: C12H12O6 MolecularWeight: 252.22008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H12O6/c1-2-3-6-7(10(13)14)4-5-8(11(15)16)9(6)12(17)18/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)(H,17,18)