ethanoic acid; (2S,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-5-octyl-pyrrolidine-3,4-diol

Systemtic Name: ethanoic acid; (2S,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-5-octyl-pyrrolidine-3,4-diol Openeye Name: acetic acid; (2S,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-5-octyl-pyrrolidine-3,4-diol CAS Name: acetic acid; (2S,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-5-octylpyrrolidine-3,4-diol IUPAC Name: acetic acid; (2S,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-5-octylpyrrolidine-3,4-diol Traditional Name: acetic acid; (2S,3R,4R,5S)-2-methylol-1-nonyl-5-octyl-pyrrolidine-3,4-diol Formula: C24H49NO5 MolecularWeight: 431.64956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(C(C(C1CO)O)O)CCCCCCCC.CC(=O)O

Isomeric SMILES

CCCCCCCCCN1[C@H]([C@H]([C@@H]([C@@H]1CO)O)O)CCCCCCCC.CC(=O)O

InChI

InChI=1S/C22H45NO3.C2H4O2/c1-3-5-7-9-11-13-15-17-23-19(16-14-12-10-8-6-4-2)21(25)22(26)20(23)18-24;1-2(3)4/h19-22,24-26H,3-18H2,1-2H3;1H3,(H,3,4)/t19-,20-,21+,22+;/m0./s1