[4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C32H22BrF3O8 MolecularWeight: 671.41149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=C(C=C4)C5=CC=CC=C5)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=C(C=C4)C5=CC=CC=C5)Br)OC)OC

InChI

InChI=1S/C32H22BrF3O8/c1-39-24-16-22(25(33)28(41-3)27(24)40-2)31(38)43-20-13-14-21-23(15-20)44-30(32(34,35)36)29(26(21)37)42-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3