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

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic 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-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H29F3O6 MolecularWeight: 554.55357

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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(=CC(=C4)C)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(=CC(=C4)C)C

InChI

InChI=1S/C31H29F3O6/c1-4-5-6-7-14-37-22-10-8-21(9-11-22)30(36)39-23-12-13-25-26(18-23)40-29(31(32,33)34)28(27(25)35)38-24-16-19(2)15-20(3)17-24/h8-13,15-18H,4-7,14H2,1-3H3