2-ethanoylbenzoic acid; 3-methyl-3-oxidanyl-2-benzofuran-1-one

Systemtic Name: 2-ethanoylbenzoic acid; 3-methyl-3-oxidanyl-2-benzofuran-1-one Openeye Name: 2-acetylbenzoic acid; 3-hydroxy-3-methyl-isobenzofuran-1-one CAS Name: 2-acetylbenzoic acid; 3-hydroxy-3-methyl-1-isobenzofuranone IUPAC Name: 2-acetylbenzoic acid; 3-hydroxy-3-methyl-2-benzofuran-1-one Traditional Name: 2-acetylbenzoic acid; 3-hydroxy-3-methyl-phthalide Formula: C18H16O6 MolecularWeight: 328.31604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)O.CC1(C2=CC=CC=C2C(=O)O1)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)O.CC1(C2=CC=CC=C2C(=O)O1)O

InChI

InChI=1S/2C9H8O3/c1-9(11)7-5-3-2-4-6(7)8(10)12-9;1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11H,1H3;2-5H,1H3,(H,11,12)