1-[2-iodanyl-4-(trifluoromethyloxy)phenoxy]propyl 4-methylbenzenesulfonate

Systemtic Name: 1-[2-iodanyl-4-(trifluoromethyloxy)phenoxy]propyl 4-methylbenzenesulfonate Openeye Name: 1-[2-iodo-4-(trifluoromethoxy)phenoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[2-iodo-4-(trifluoromethoxy)phenoxy]propyl ester IUPAC Name: 1-[2-iodo-4-(trifluoromethoxy)phenoxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[2-iodo-4-(trifluoromethoxy)phenoxy]propyl ester Formula: C17H16F3IO5S MolecularWeight: 516.27062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=C(C=C1)OC(F)(F)F)I)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(OC1=C(C=C(C=C1)OC(F)(F)F)I)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H16F3IO5S/c1-3-16(26-27(22,23)13-7-4-11(2)5-8-13)24-15-9-6-12(10-14(15)21)25-17(18,19)20/h4-10,16H,3H2,1-2H3