2-(2,4,6-trimethylphenyl)propanedioic acid

Systemtic Name: 2-(2,4,6-trimethylphenyl)propanedioic acid Openeye Name: 2-(2,4,6-trimethylphenyl)propanedioic acid CAS Name: 2-(2,4,6-trimethylphenyl)propanedioic acid IUPAC Name: 2-(2,4,6-trimethylphenyl)propanedioic acid Traditional Name: 2-mesitylmalonic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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