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(2R,3S,4S)-2-(hydroxymethyl)-1-octadecyl-thiolan-1-ium-3,4-diol

(2R,3S,4S)-2-(hydroxymethyl)-1-octadecyl-thiolan-1-ium-3,4-diol

Systemtic Name:(2R,3S,4S)-2-(hydroxymethyl)-1-octadecyl-thiolan-1-ium-3,4-diol
Openeye Name:(2R,3S,4S)-2-(hydroxymethyl)-1-octadecyl-tetrahydrothiophen-1-ium-3,4-diol
CAS Name:(2R,3S,4S)-2-(hydroxymethyl)-1-octadecylthiolan-1-ium-3,4-diol
IUPAC Name:(2R,3S,4S)-2-(hydroxymethyl)-1-octadecylthiolan-1-ium-3,4-diol
Traditional Name:(2R,3S,4S)-2-methylol-1-stearyl-tetrahydrothiophen-1-ium-3,4-diol
Formula: C23H47O3S+
MolecularWeight: 403.68248
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[S+]1CC(C(C1CO)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[S+]1C[C@H]([C@@H]([C@H]1CO)O)O


InChI

InChI=1S/C23H47O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-20-21(25)23(26)22(27)19-24/h21-26H,2-20H2,1H3/q+1/t21-,22-,23+,27?/m1/s1


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