2-[[6,7-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbonyl]-5-methyl-benzoic acid

Systemtic Name: 2-[[6,7-bis(fluoranyl)-1,3-benzodioxol-5-yl]carbonyl]-5-methyl-benzoic acid Openeye Name: 2-(6,7-difluoro-1,3-benzodioxole-5-carbonyl)-5-methyl-benzoic acid CAS Name: 2-[(6,7-difluoro-1,3-benzodioxol-5-yl)-oxomethyl]-5-methylbenzoic acid IUPAC Name: 2-(6,7-difluoro-1,3-benzodioxole-5-carbonyl)-5-methylbenzoic acid Traditional Name: 2-(6,7-difluoropiperonyloyl)-5-methyl-benzoic acid Formula: C16H10F2O5 MolecularWeight: 320.244406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC3=C(C(=C2F)F)OCO3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC3=C(C(=C2F)F)OCO3)C(=O)O

InChI

InChI=1S/C16H10F2O5/c1-7-2-3-8(9(4-7)16(20)21)14(19)10-5-11-15(23-6-22-11)13(18)12(10)17/h2-5H,6H2,1H3,(H,20,21)