[6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] benzoate

Systemtic Name: [6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] benzoate Openeye Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] benzoate CAS Name: benzoic acid [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] benzoate Traditional Name: benzoic acid [6-ethyl-3-(4-iodophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H16F3IO5 MolecularWeight: 580.29122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)I)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)I)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H16F3IO5/c1-2-14-12-18-20(13-19(14)34-24(31)15-6-4-3-5-7-15)33-23(25(26,27)28)22(21(18)30)32-17-10-8-16(29)9-11-17/h3-13H,2H2,1H3