5-[[2,6-bis(fluoranyl)-4-nitro-phenoxy]methyl]-3,3-dimethyl-2-benzofuran-1-one

Systemtic Name: 5-[[2,6-bis(fluoranyl)-4-nitro-phenoxy]methyl]-3,3-dimethyl-2-benzofuran-1-one Openeye Name: 5-[(2,6-difluoro-4-nitro-phenoxy)methyl]-3,3-dimethyl-isobenzofuran-1-one CAS Name: 5-[(2,6-difluoro-4-nitrophenoxy)methyl]-3,3-dimethyl-1-isobenzofuranone IUPAC Name: 5-[(2,6-difluoro-4-nitrophenoxy)methyl]-3,3-dimethyl-2-benzofuran-1-one Traditional Name: 5-[(2,6-difluoro-4-nitro-phenoxy)methyl]-3,3-dimethyl-phthalide Formula: C17H13F2NO5 MolecularWeight: 349.285626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)COC3=C(C=C(C=C3F)[N+](=O)[O-])F)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)COC3=C(C=C(C=C3F)[N+](=O)[O-])F)C(=O)O1)C

InChI

InChI=1S/C17H13F2NO5/c1-17(2)12-5-9(3-4-11(12)16(21)25-17)8-24-15-13(18)6-10(20(22)23)7-14(15)19/h3-7H,8H2,1-2H3