bis(fluoranyloxy)stibinate; (4-methoxycarbonyloxyphenyl)-methyl-(phenylmethyl)sulfanium; tetrahydrofluoride

Systemtic Name: bis(fluoranyloxy)stibinate; (4-methoxycarbonyloxyphenyl)-methyl-(phenylmethyl)sulfanium; tetrahydrofluoride Openeye Name: benzyl-(4-methoxycarbonyloxyphenyl)-methyl-sulfonium; difluorooxystibinate; tetrahydrofluoride CAS Name: difluorooxystibinate; (4-methoxycarbonyloxyphenyl)-methyl-(phenylmethyl)sulfonium; tetrahydrofluoride IUPAC Name: benzyl-(4-methoxycarbonyloxyphenyl)-methylsulfanium; difluorooxystibinate; tetrahydrofluoride Traditional Name: benzyl-(4-carbomethoxyoxyphenyl)-methyl-sulfonium; difluorooxystibinate; tetrahydrofluoride Formula: C16H21F6O7SSb MolecularWeight: 593.149159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=CC=C(C=C1)[S+](C)CC2=CC=CC=C2.[O-][Sb](=O)(OF)OF.F.F.F.F

Isomeric SMILES

COC(=O)OC1=CC=C(C=C1)[S+](C)CC2=CC=CC=C2.[O-][Sb](=O)(OF)OF.F.F.F.F

InChI

InChI=1S/C16H17O3S.2FO.4FH.2O.Sb/c1-18-16(17)19-14-8-10-15(11-9-14)20(2)12-13-6-4-3-5-7-13;2*1-2;;;;;;;/h3-11H,12H2,1-2H3;;;4*1H;;;/q+1;2*-1;;;;;;-1;+2