4-fluoranylbenzenesulfonate; tris[3-(oxolan-2-yloxy)phenyl]sulfanium

Systemtic Name: 4-fluoranylbenzenesulfonate; tris[3-(oxolan-2-yloxy)phenyl]sulfanium Openeye Name: 4-fluorobenzenesulfonate; tris(3-tetrahydrofuran-2-yloxyphenyl)sulfonium CAS Name: 4-fluorobenzenesulfonate; tris[3-(2-oxolanyloxy)phenyl]sulfonium IUPAC Name: 4-fluorobenzenesulfonate; tris[3-(oxolan-2-yloxy)phenyl]sulfanium Traditional Name: 4-fluorobesylate; tris[3-(tetrahydrofuryloxy)phenyl]sulfonium Formula: C36H37FO9S2 MolecularWeight: 696.801983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)OC2=CC(=CC=C2)[S+](C3=CC=CC(=C3)OC4CCCO4)C5=CC=CC(=C5)OC6CCCO6.C1=CC(=CC=C1F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC(OC1)OC2=CC(=CC=C2)[S+](C3=CC=CC(=C3)OC4CCCO4)C5=CC=CC(=C5)OC6CCCO6.C1=CC(=CC=C1F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H33O6S.C6H5FO3S/c1-7-22(34-28-13-4-16-31-28)19-25(10-1)37(26-11-2-8-23(20-26)35-29-14-5-17-32-29)27-12-3-9-24(21-27)36-30-15-6-18-33-30;7-5-1-3-6(4-2-5)11(8,9)10/h1-3,7-12,19-21,28-30H,4-6,13-18H2;1-4H,(H,8,9,10)/q+1;/p-1