3-butylphthalic acid

Systemtic Name: 3-butylphthalic acid Openeye Name: 3-butylphthalic acid CAS Name: 3-butylphthalic acid IUPAC Name: 3-butylphthalic acid Traditional Name: 3-butylphthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC(=C1C(=O)O)C(=O)O

InChI

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