3-(2-methyl-1-oxidanyl-propan-2-yl)-1,4-benzodioxepine-2,5-dione

Systemtic Name: 3-(2-methyl-1-oxidanyl-propan-2-yl)-1,4-benzodioxepine-2,5-dione Openeye Name: 3-(2-hydroxy-1,1-dimethyl-ethyl)-1,4-benzodioxepine-2,5-dione CAS Name: 3-(1-hydroxy-2-methylpropan-2-yl)-1,4-benzodioxepin-2,5-dione IUPAC Name: 3-(1-hydroxy-2-methylpropan-2-yl)-1,4-benzodioxepine-2,5-dione Traditional Name: 3-(2-hydroxy-1,1-dimethyl-ethyl)-1,4-benzodioxepin-2,5-quinone Formula: C13H14O5 MolecularWeight: 250.24726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C1C(=O)OC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(C)(CO)C1C(=O)OC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C13H14O5/c1-13(2,7-14)10-12(16)17-9-6-4-3-5-8(9)11(15)18-10/h3-6,10,14H,7H2,1-2H3