2-[(3-propan-2-ylphenyl)methyl]propanedioic acid

Systemtic Name: 2-[(3-propan-2-ylphenyl)methyl]propanedioic acid Openeye Name: 2-[(3-isopropylphenyl)methyl]propanedioic acid CAS Name: 2-[(3-propan-2-ylphenyl)methyl]propanedioic acid IUPAC Name: 2-[(3-propan-2-ylphenyl)methyl]propanedioic acid Traditional Name: 2-(3-isopropylbenzyl)malonic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-8(2)10-5-3-4-9(6-10)7-11(12(14)15)13(16)17/h3-6,8,11H,7H2,1-2H3,(H,14,15)(H,16,17)