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

Systemtic Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octadecyl-thiolan-1-ium-3,4-diol chloride Openeye Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octadecyl-tetrahydrothiophen-1-ium-3,4-diol chloride CAS Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octadecylthiolan-1-ium-3,4-diol chloride IUPAC Name: (2R,3S,4S)-2-(hydroxymethyl)-1-octadecylthiolan-1-ium-3,4-diol chloride Traditional Name: (2R,3S,4S)-2-methylol-1-stearyl-tetrahydrothiophen-1-ium-3,4-diol chloride Formula: C23H47ClO3S MolecularWeight: 439.13548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H47O3S.ClH/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;1H/q+1;/p-1/t21-,22-,23+,27?;/m1./s1