2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (2,2-dimethyl-3-oxidanyl-propyl) benzoate

Systemtic Name: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (2,2-dimethyl-3-oxidanyl-propyl) benzoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (3-hydroxy-2,2-dimethyl-propyl) benzoate; isobenzofuran-1,3-dione CAS Name: benzoic acid (3-hydroxy-2,2-dimethylpropyl) ester; 2,2-bis(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; 2,2-bis(hydroxymethyl)propane-1,3-diol; (3-hydroxy-2,2-dimethylpropyl) benzoate Traditional Name: benzoic acid (3-hydroxy-2,2-dimethyl-propyl) ester; 2,2-dimethylolpropane-1,3-diol; phthalic anhydride Formula: C25H32O10 MolecularWeight: 492.51558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3.C8H4O3.C5H12O4/c1-12(2,8-13)9-15-11(14)10-6-4-3-5-7-10;9-7-5-3-1-2-4-6(5)8(10)11-7;6-1-5(2-7,3-8)4-9/h3-7,13H,8-9H2,1-2H3;1-4H;6-9H,1-4H2