10-[(5S,6S)-6-phenoxathiin-10-ium-10-yldecan-5-yl]phenoxathiin-10-ium dihexafluorophosphate

Systemtic Name: 10-[(5S,6S)-6-phenoxathiin-10-ium-10-yldecan-5-yl]phenoxathiin-10-ium dihexafluorophosphate Openeye Name: 10-[(1S,2S)-1-butyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium dihexafluorophosphate CAS Name: 10-[(5S,6S)-6-(10-phenoxathiin-10-iumyl)decan-5-yl]phenoxathiin-10-ium dihexafluorophosphate IUPAC Name: 10-[(5S,6S)-6-phenoxathiin-10-ium-10-yldecan-5-yl]phenoxathiin-10-ium dihexafluorophosphate Traditional Name: 10-[(1S,2S)-1-butyl-2-phenoxathiin-10-ium-10-yl-hexyl]phenoxathiin-10-ium dihexafluorophosphate Formula: C34H36F12O2P2S2 MolecularWeight: 830.7068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCC)[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

CCCC[C@@H]([C@H](CCCC)[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/C34H36O2S2.2F6P/c1-3-5-19-33(37-29-21-11-7-15-25(29)35-26-16-8-12-22-30(26)37)34(20-6-4-2)38-31-23-13-9-17-27(31)36-28-18-10-14-24-32(28)38;2*1-7(2,3,4,5)6/h7-18,21-24,33-34H,3-6,19-20H2,1-2H3;;/q+2;2*-1/t33-,34-;;/m0../s1