(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H13BrF2O6 MolecularWeight: 431.182326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)OC(F)F

InChI

InChI=1S/C17H13BrF2O6/c1-22-13-4-9(2-3-12(13)26-17(19)20)16(21)23-7-10-5-14-15(6-11(10)18)25-8-24-14/h2-6,17H,7-8H2,1H3