2-propan-2-ylbenzene-1,3-dicarboxylic acid

Systemtic Name: 2-propan-2-ylbenzene-1,3-dicarboxylic acid Openeye Name: 2-isopropylbenzene-1,3-dicarboxylic acid CAS Name: 2-propan-2-ylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-propan-2-ylbenzene-1,3-dicarboxylic acid Traditional Name: 2-isopropylisophthalic acid Formula: C11H12O4 MolecularWeight: 208.21058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C11H12O4/c1-6(2)9-7(10(12)13)4-3-5-8(9)11(14)15/h3-6H,1-2H3,(H,12,13)(H,14,15)