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

Systemtic Name: [3-(4-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methylphenoxy)-4-oxo-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-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20BrF3O8 MolecularWeight: 609.34211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4Br)OC)OC)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4Br)OC)OC)OC)C(F)(F)F

InChI

InChI=1S/C27H20BrF3O8/c1-13-5-7-14(8-6-13)37-24-21(32)16-10-9-15(11-18(16)39-25(24)27(29,30)31)38-26(33)17-12-19(34-2)22(35-3)23(36-4)20(17)28/h5-12H,1-4H3