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

Systemtic Name: [3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [3-(4-ethylphenoxy)-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-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [3-(4-ethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H22BrF3O8 MolecularWeight: 623.36869

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C28H22BrF3O8/c1-5-14-6-8-15(9-7-14)38-25-22(33)17-11-10-16(12-19(17)40-26(25)28(30,31)32)39-27(34)18-13-20(35-2)23(36-3)24(37-4)21(18)29/h6-13H,5H2,1-4H3