3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]phthalide Formula: C17H12O5 MolecularWeight: 296.27418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C17H12O5/c18-13(10-5-6-14-16(7-10)21-9-20-14)8-15-11-3-1-2-4-12(11)17(19)22-15/h1-7,15H,8-9H2