(2S)-2-[(1R)-1-oxidanylprop-2-ynyl]octadecanoic acid

Systemtic Name: (2S)-2-[(1R)-1-oxidanylprop-2-ynyl]octadecanoic acid Openeye Name: (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]octadecanoic acid CAS Name: (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]octadecanoic acid IUPAC Name: (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]octadecanoic acid Traditional Name: (2S,3R)-2-cetyl-3-hydroxy-pent-4-ynoic acid Formula: C21H38O3 MolecularWeight: 338.52462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C#C)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[C@@H]([C@H](C#C)O)C(=O)O

InChI

InChI=1S/C21H38O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21(23)24)20(22)4-2/h2,19-20,22H,3,5-18H2,1H3,(H,23,24)/t19-,20-/m0/s1