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3-(3-oxidanylidenebutanoyl)benzoic acid

3-(3-oxidanylidenebutanoyl)benzoic acid

Systemtic Name:3-(3-oxidanylidenebutanoyl)benzoic acid
Openeye Name:3-(3-oxobutanoyl)benzoic acid
CAS Name:3-(1,3-dioxobutyl)benzoic acid
IUPAC Name:3-(3-oxobutanoyl)benzoic acid
Traditional Name:3-acetoacetylbenzoic acid
Formula: C11H10O4
MolecularWeight: 206.1947
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H10O4/c1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15/h2-4,6H,5H2,1H3,(H,14,15)


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