[6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [6-ethyl-3-(4-iodanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,4,5-trimethoxybenzoate Openeye Name: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [6-ethyl-3-(4-iodophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H22F3IO8 MolecularWeight: 670.36916

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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(=C(C(=C4)OC)OC)OC

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(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C28H22F3IO8/c1-5-14-10-18-20(13-19(14)40-27(34)15-11-21(35-2)24(37-4)22(12-15)36-3)39-26(28(29,30)31)25(23(18)33)38-17-8-6-16(32)7-9-17/h6-13H,5H2,1-4H3