10-[(2S,3R)-2-phenoxathiin-10-ium-10-ylpentan-3-yl]phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-[(2S,3R)-2-phenoxathiin-10-ium-10-ylpentan-3-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1R,2S)-1-ethyl-2-phenoxathiin-10-ium-10-yl-propyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(2S,3R)-2-(10-phenoxathiin-10-iumyl)pentan-3-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(2S,3R)-2-phenoxathiin-10-ium-10-ylpentan-3-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1R,2S)-1-ethyl-2-phenoxathiin-10-ium-10-yl-propyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C29H26F12O2P2S2 MolecularWeight: 760.5739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)[S+]1C2=CC=CC=C2OC3=CC=CC=C31)[S+]4C5=CC=CC=C5OC6=CC=CC=C64.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC[C@H]([C@H](C)[S+]1C2=CC=CC=C2OC3=CC=CC=C31)[S+]4C5=CC=CC=C5OC6=CC=CC=C64.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C29H26O2S2.2F6P/c1-3-25(33-28-18-10-6-14-23(28)31-24-15-7-11-19-29(24)33)20(2)32-26-16-8-4-12-21(26)30-22-13-5-9-17-27(22)32;2*1-7(2,3,4,5)6/h4-20,25H,3H2,1-2H3;;/q+2;2*-1/t20-,25+;;/m0../s1