3-acetyloxy-4-methoxy-5-(2-oxidanylidenepropyl)benzoic acid

Systemtic Name: 3-acetyloxy-4-methoxy-5-(2-oxidanylidenepropyl)benzoic acid Openeye Name: 3-acetonyl-5-acetoxy-4-methoxy-benzoic acid CAS Name: 3-acetyloxy-4-methoxy-5-(2-oxopropyl)benzoic acid IUPAC Name: 3-acetyloxy-4-methoxy-5-(2-oxopropyl)benzoic acid Traditional Name: 3-acetonyl-5-acetoxy-4-methoxy-benzoic acid Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C(=CC(=C1)C(=O)O)OC(=O)C)OC

Isomeric SMILES

CC(=O)CC1=C(C(=CC(=C1)C(=O)O)OC(=O)C)OC

InChI

InChI=1S/C13H14O6/c1-7(14)4-9-5-10(13(16)17)6-11(12(9)18-3)19-8(2)15/h5-6H,4H2,1-3H3,(H,16,17)