5-methyl-3-propyl-phthalic acid

Systemtic Name: 5-methyl-3-propyl-phthalic acid Openeye Name: 5-methyl-3-propyl-phthalic acid CAS Name: 5-methyl-3-propylphthalic acid IUPAC Name: 5-methyl-3-propylphthalic acid Traditional Name: 5-methyl-3-propyl-phthalic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4/c1-3-4-8-5-7(2)6-9(11(13)14)10(8)12(15)16/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)