3H-2-benzofuran-1-one; 3-oxidanyl-3-oxidanylidene-2-thiophen-3-yl-propanoate

Systemtic Name: 3H-2-benzofuran-1-one; 3-oxidanyl-3-oxidanylidene-2-thiophen-3-yl-propanoate Openeye Name: 3-hydroxy-3-oxo-2-(3-thienyl)propanoate; 3H-isobenzofuran-1-one CAS Name: 3-hydroxy-3-oxo-2-(3-thiophenyl)propanoate; 3H-isobenzofuran-1-one IUPAC Name: 3H-2-benzofuran-1-one; 3-hydroxy-3-oxo-2-thiophen-3-ylpropanoate Traditional Name: 3-hydroxy-3-keto-2-(3-thienyl)propionate; phthalide Formula: C15H11O6S- MolecularWeight: 319.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)O1.C1=CSC=C1C(C(=O)O)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)O1.C1=CSC=C1C(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C8H6O2.C7H6O4S/c9-8-7-4-2-1-3-6(7)5-10-8;8-6(9)5(7(10)11)4-1-2-12-3-4/h1-4H,5H2;1-3,5H,(H,8,9)(H,10,11)/p-1