3H-2-benzofuran-1-one; [1-(hydroxymethyl)cyclopropyl]methyl benzoate

Systemtic Name: 3H-2-benzofuran-1-one; [1-(hydroxymethyl)cyclopropyl]methyl benzoate Openeye Name: [1-(hydroxymethyl)cyclopropyl]methyl benzoate; 3H-isobenzofuran-1-one CAS Name: benzoic acid [1-(hydroxymethyl)cyclopropyl]methyl ester; 3H-isobenzofuran-1-one IUPAC Name: 3H-2-benzofuran-1-one; [1-(hydroxymethyl)cyclopropyl]methyl benzoate Traditional Name: benzoic acid (1-methylolcyclopropyl)methyl ester; phthalide Formula: C20H20O5 MolecularWeight: 340.3698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CO)COC(=O)C2=CC=CC=C2.C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

C1CC1(CO)COC(=O)C2=CC=CC=C2.C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C12H14O3.C8H6O2/c13-8-12(6-7-12)9-15-11(14)10-4-2-1-3-5-10;9-8-7-4-2-1-3-6(7)5-10-8/h1-5,13H,6-9H2;1-4H,5H2