2-acetyloxy-3-(4-oxidanyl-4-oxidanylidene-butyl)benzoic acid

Systemtic Name: 2-acetyloxy-3-(4-oxidanyl-4-oxidanylidene-butyl)benzoic acid Openeye Name: 2-acetoxy-3-(4-hydroxy-4-oxo-butyl)benzoic acid CAS Name: 2-acetyloxy-3-(4-hydroxy-4-oxobutyl)benzoic acid IUPAC Name: 2-acetyloxy-3-(4-hydroxy-4-oxobutyl)benzoic acid Traditional Name: 2-acetoxy-3-(4-hydroxy-4-keto-butyl)benzoic acid Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC=C1CCCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=CC=C1CCCC(=O)O)C(=O)O

InChI

InChI=1S/C13H14O6/c1-8(14)19-12-9(5-3-7-11(15)16)4-2-6-10(12)13(17)18/h2,4,6H,3,5,7H2,1H3,(H,15,16)(H,17,18)