[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H21F3O6 MolecularWeight: 546.49005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)OC

InChI

InChI=1S/C31H21F3O6/c1-37-24-15-12-21(16-26(24)38-2)27-28(35)23-14-13-22(17-25(23)40-29(27)31(32,33)34)39-30(36)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-17H,1-2H3