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4-butanoylphthalic acid

4-butanoylphthalic acid

Systemtic Name:4-butanoylphthalic acid
Openeye Name:4-butanoylphthalic acid
CAS Name:4-(1-oxobutyl)phthalic acid
IUPAC Name:4-butanoylphthalic acid
Traditional Name:4-butyrylphthalic acid
Formula: C12H12O5
MolecularWeight: 236.22068
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O


Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C12H12O5/c1-2-3-10(13)7-4-5-8(11(14)15)9(6-7)12(16)17/h4-6H,2-3H2,1H3,(H,14,15)(H,16,17)


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