3H-2-benzofuran-1-one; 3-oxidanyl-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: 3H-2-benzofuran-1-one; 3-oxidanyl-3-oxidanylidene-2-phenyl-propanoate Openeye Name: 3-hydroxy-3-oxo-2-phenyl-propanoate; 3H-isobenzofuran-1-one CAS Name: 3-hydroxy-3-oxo-2-phenylpropanoate; 3H-isobenzofuran-1-one IUPAC Name: 3H-2-benzofuran-1-one; 3-hydroxy-3-oxo-2-phenylpropanoate Traditional Name: 3-hydroxy-3-keto-2-phenyl-propionate; phthalide Formula: C17H13O6- MolecularWeight: 313.28152

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)O1.C1=CC=C(C=C1)C(C(=O)O)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)O1.C1=CC=C(C=C1)C(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C9H8O4.C8H6O2/c10-8(11)7(9(12)13)6-4-2-1-3-5-6;9-8-7-4-2-1-3-6(7)5-10-8/h1-5,7H,(H,10,11)(H,12,13);1-4H,5H2/p-1