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

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-iodanylbenzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-iodobenzoate CAS Name: 2-iodobenzoic 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] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H18F3IO5 MolecularWeight: 594.3178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4I)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4I)C(F)(F)F

InChI

InChI=1S/C26H18F3IO5/c1-14(2)16-7-4-6-10-20(16)34-23-22(31)18-12-11-15(13-21(18)35-24(23)26(27,28)29)33-25(32)17-8-3-5-9-19(17)30/h3-14H,1-2H3