2-[3-(4-methylphenyl)propyl]propanedioic acid

Systemtic Name: 2-[3-(4-methylphenyl)propyl]propanedioic acid Openeye Name: 2-[3-(p-tolyl)propyl]propanedioic acid CAS Name: 2-[3-(4-methylphenyl)propyl]propanedioic acid IUPAC Name: 2-[3-(4-methylphenyl)propyl]propanedioic acid Traditional Name: 2-[3-(p-tolyl)propyl]malonic acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-9-5-7-10(8-6-9)3-2-4-11(12(14)15)13(16)17/h5-8,11H,2-4H2,1H3,(H,14,15)(H,16,17)