[4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-(4-ethylphenoxy)butanoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-(4-ethylphenoxy)butanoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-(4-ethylphenoxy)butanoate CAS Name: 4-(4-ethylphenoxy)butanoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-(4-ethylphenoxy)butanoate Traditional Name: 4-(4-ethylphenoxy)butyric acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C31H29F3O6 MolecularWeight: 554.55357

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4C(C)C

InChI

InChI=1S/C31H29F3O6/c1-4-20-11-13-21(14-12-20)37-17-7-10-27(35)38-22-15-16-24-26(18-22)40-30(31(32,33)34)29(28(24)36)39-25-9-6-5-8-23(25)19(2)3/h5-6,8-9,11-16,18-19H,4,7,10,17H2,1-3H3