4-butan-2-ylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-butan-2-ylbenzene-1,3-dicarboxylic acid Openeye Name: 4-sec-butylbenzene-1,3-dicarboxylic acid CAS Name: 4-butan-2-ylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-butan-2-ylbenzene-1,3-dicarboxylic acid Traditional Name: 4-sec-butylisophthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4/c1-3-7(2)9-5-4-8(11(13)14)6-10(9)12(15)16/h4-7H,3H2,1-2H3,(H,13,14)(H,15,16)