(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2,4,5-trimethoxybenzoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2,4,5-trimethoxybenzoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H23FO7 MolecularWeight: 454.444323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H23FO7/c1-28-20-12-22(30-3)21(29-2)11-19(20)24(27)31-13-16-9-18(26)10-17-14-32-25(33-23(16)17)15-7-5-4-6-8-15/h4-12,25H,13-14H2,1-3H3