2-benzofuran-1,3-dione; benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol

Systemtic Name: 2-benzofuran-1,3-dione; benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol Openeye Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione CAS Name: benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; benzoic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol Traditional Name: benzoic acid; 2,2-dimethylolpropane-1,3-diol; phthalic anhydride Formula: C20H22O9 MolecularWeight: 406.38328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C7H6O2.C5H12O4/c9-7-5-3-1-2-4-6(5)8(10)11-7;8-7(9)6-4-2-1-3-5-6;6-1-5(2-7,3-8)4-9/h1-4H;1-5H,(H,8,9);6-9H,1-4H2