3H-2-benzofuran-1-one; cyclopropylmethyl 2-(hydroxymethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC(=O)C2=CC=CC=C2CO.C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

C1CC1COC(=O)C2=CC=CC=C2CO.C1C2=CC=CC=C2C(=O)O1

InChI

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