3,4-diethylphthalic acid; ethanoic acid

Systemtic Name: 3,4-diethylphthalic acid; ethanoic acid Openeye Name: acetic acid; 3,4-diethylphthalic acid CAS Name: acetic acid; 3,4-diethylphthalic acid IUPAC Name: acetic acid; 3,4-diethylphthalic acid Traditional Name: acetic acid; 3,4-diethylphthalic acid Formula: C14H18O6 MolecularWeight: 282.28912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC.CC(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC.CC(=O)O

InChI

InChI=1S/C12H14O4.C2H4O2/c1-3-7-5-6-9(11(13)14)10(12(15)16)8(7)4-2;1-2(3)4/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16);1H3,(H,3,4)