2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethyloxy)ethanol Openeye Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione CAS Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol Traditional Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-quinone; 2-(2-hydroxyethoxy)ethanol; phthalic anhydride Formula: C21H28O11 MolecularWeight: 456.44042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(COCCO)O

Isomeric SMILES

CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(COCCO)O

InChI

InChI=1S/C8H4O3.C5H12O2.C4H2O3.C4H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-5(2,3-6)4-7;5-3-1-2-4(6)7-3;5-1-3-7-4-2-6/h1-4H;6-7H,3-4H2,1-2H3;1-2H;5-6H,1-4H2