[3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H28BrF3O5 MolecularWeight: 617.45023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C31H28BrF3O5/c1-4-5-6-7-8-21-16-24-26(17-25(21)40-30(37)20-9-11-22(32)12-10-20)39-29(31(33,34)35)28(27(24)36)38-23-14-18(2)13-19(3)15-23/h9-17H,4-8H2,1-3H3