[3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H21F3O5 MolecularWeight: 530.49065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)C

InChI

InChI=1S/C31H21F3O5/c1-18-14-19(2)16-24(15-18)37-28-27(35)25-13-12-23(17-26(25)39-29(28)31(32,33)34)38-30(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-17H,1-2H3