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

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(3,5-dimethylphenoxy)-6-hexyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C32H31F3O5 MolecularWeight: 552.58075

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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)C

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)C

InChI

InChI=1S/C32H31F3O5/c1-5-6-7-8-9-23-17-25-27(18-26(23)40-31(37)22-12-10-19(2)11-13-22)39-30(32(33,34)35)29(28(25)36)38-24-15-20(3)14-21(4)16-24/h10-18H,5-9H2,1-4H3