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

Systemtic Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; furan-2,5-quinone; phthalic anhydride Formula: C18H20O9 MolecularWeight: 380.346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C6H14O3.C4H2O3/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/h1-4H;7-9H,2-5H2,1H3;1-2H