7-[(3-bromophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 7-[(3-bromophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-[(3-bromophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-[(3-bromophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-[(3-bromophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-(3-bromobenzyl)oxy-3-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)chromone Formula: C25H18BrF3O5 MolecularWeight: 535.30663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC(=CC=C4)Br)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC(=CC=C4)Br)C(F)(F)F)OC

InChI

InChI=1S/C25H18BrF3O5/c1-31-19-9-6-15(11-21(19)32-2)22-23(30)18-8-7-17(12-20(18)34-24(22)25(27,28)29)33-13-14-4-3-5-16(26)10-14/h3-12H,13H2,1-2H3