2-ethanoyl-4-oxidanyl-6-oxidanylidene-hexanoic acid; 6-oxabicyclo[3.2.1]octa-1(8),2,4-trien-7-one

Systemtic Name: 2-ethanoyl-4-oxidanyl-6-oxidanylidene-hexanoic acid; 6-oxabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Openeye Name: 2-acetyl-4-hydroxy-6-oxo-hexanoic acid; 6-oxabicyclo[3.2.1]octa-1(8),2,4-trien-7-one CAS Name: 2-acetyl-4-hydroxy-6-oxohexanoic acid; 6-oxabicyclo[3.2.1]octa-1(8),2,4-trien-7-one IUPAC Name: 2-acetyl-4-hydroxy-6-oxohexanoic acid; 6-oxabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Traditional Name: 2-acetyl-4-hydroxy-6-keto-hexanoic acid; 6-oxabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Formula: C15H16O7 MolecularWeight: 308.28334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(CC=O)O)C(=O)O.C1=CC2=CC(=C1)OC2=O

Isomeric SMILES

CC(=O)C(CC(CC=O)O)C(=O)O.C1=CC2=CC(=C1)OC2=O

InChI

InChI=1S/C8H12O5.C7H4O2/c1-5(10)7(8(12)13)4-6(11)2-3-9;8-7-5-2-1-3-6(4-5)9-7/h3,6-7,11H,2,4H2,1H3,(H,12,13);1-4H