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

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H25F3O5 MolecularWeight: 510.50101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25F3O5/c1-16-6-7-17(2)22(14-16)36-25-24(33)21-13-12-20(15-23(21)37-26(25)29(30,31)32)35-27(34)18-8-10-19(11-9-18)28(3,4)5/h6-15H,1-5H3