3-acetyloxy-3-methyl-2,4-dihydro-1,5-benzodioxepine-4-carboxylic acid

Systemtic Name: 3-acetyloxy-3-methyl-2,4-dihydro-1,5-benzodioxepine-4-carboxylic acid Openeye Name: 3-acetoxy-3-methyl-2,4-dihydro-1,5-benzodioxepine-4-carboxylic acid CAS Name: 3-acetyloxy-3-methyl-2,4-dihydro-1,5-benzodioxepin-4-carboxylic acid IUPAC Name: 3-acetyloxy-3-methyl-2,4-dihydro-1,5-benzodioxepine-4-carboxylic acid Traditional Name: 3-acetoxy-3-methyl-2,4-dihydro-1,5-benzodioxepin-4-carboxylic acid Formula: C13H14O6 MolecularWeight: 266.24666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(COC2=CC=CC=C2OC1C(=O)O)C

Isomeric SMILES

CC(=O)OC1(COC2=CC=CC=C2OC1C(=O)O)C

InChI

InChI=1S/C13H14O6/c1-8(14)19-13(2)7-17-9-5-3-4-6-10(9)18-11(13)12(15)16/h3-6,11H,7H2,1-2H3,(H,15,16)