2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid Openeye Name: 2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid CAS Name: 2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid Traditional Name: 2-neopentylisophthalic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)CC1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4/c1-13(2,3)7-10-8(11(14)15)5-4-6-9(10)12(16)17/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17)