[4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-bromanylbenzoate

Systemtic Name: [4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-bromanylbenzoate Openeye Name: [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H16BrF3O5 MolecularWeight: 581.33355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(OC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC=CC=C5Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(OC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC=CC=C5Br)C(F)(F)F

InChI

InChI=1S/C29H16BrF3O5/c30-23-9-5-4-8-21(23)28(35)37-20-14-15-22-24(16-20)38-27(29(31,32)33)26(25(22)34)36-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16H