6-(2-oxidanylidenepropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 6-(2-oxidanylidenepropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 6-acetonyl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 6-(2-oxopropyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 6-(2-oxopropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 6-acetonyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C12H12O5 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1)OCC(O2)C(=O)O

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1)OCC(O2)C(=O)O

InChI

InChI=1S/C12H12O5/c1-7(13)4-8-2-3-9-10(5-8)17-11(6-16-9)12(14)15/h2-3,5,11H,4,6H2,1H3,(H,14,15)