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

Systemtic Name: 5-[[2,6-bis(fluoranyl)-4-nitro-phenyl]-oxidanyl-methyl]-3,3-dimethyl-2-benzofuran-1-one Openeye Name: 5-[(2,6-difluoro-4-nitro-phenyl)-hydroxy-methyl]-3,3-dimethyl-isobenzofuran-1-one CAS Name: 5-[(2,6-difluoro-4-nitrophenyl)-hydroxymethyl]-3,3-dimethyl-1-isobenzofuranone IUPAC Name: 5-[(2,6-difluoro-4-nitrophenyl)-hydroxymethyl]-3,3-dimethyl-2-benzofuran-1-one Traditional Name: 5-[(2,6-difluoro-4-nitro-phenyl)-hydroxy-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)C(C3=C(C=C(C=C3F)[N+](=O)[O-])F)O)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(C3=C(C=C(C=C3F)[N+](=O)[O-])F)O)C(=O)O1)C

InChI

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