2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol Openeye Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol CAS Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol IUPAC Name: 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol Traditional Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-quinone; phthalic anhydride; propane-1,2-diol Formula: C20H26O10 MolecularWeight: 426.41444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C5H12O2.C4H2O3.C3H8O2/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;1-3(5)2-4/h1-4H;6-7H,3-4H2,1-2H3;1-2H;3-5H,2H2,1H3