3-butan-2-ylphthalic acid

Systemtic Name: 3-butan-2-ylphthalic acid Openeye Name: 3-sec-butylphthalic acid CAS Name: 3-butan-2-ylphthalic acid IUPAC Name: 3-butan-2-ylphthalic acid Traditional Name: 3-sec-butylphthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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