2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; propane-1,2-diol

Systemtic Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; propane-1,2-diol Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; propane-1,2-diol Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; furan-2,5-quinone; phthalic anhydride; propane-1,2-diol Formula: C21H28O11 MolecularWeight: 456.44042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C6H14O3.C4H2O3.C3H8O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-4H;7-9H,2-5H2,1H3;1-2H;3-5H,2H2,1H3