[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H28ClF3O6 MolecularWeight: 588.99863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C(=C4)C)Cl)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C(=C4)C)Cl)C

InChI

InChI=1S/C31H28ClF3O6/c1-4-5-6-7-14-38-21-10-8-20(9-11-21)30(37)40-22-12-13-24-25(17-22)41-29(31(33,34)35)28(27(24)36)39-23-15-18(2)26(32)19(3)16-23/h8-13,15-17H,4-7,14H2,1-3H3