N-[(2S,3S)-3-methyl-1,3-bis(oxidanyl)octadec-4-yn-2-yl]dodecanamide

Systemtic Name: N-[(2S,3S)-3-methyl-1,3-bis(oxidanyl)octadec-4-yn-2-yl]dodecanamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-methyl-heptadec-3-ynyl]dodecanamide CAS Name: N-[(2S,3S)-1,3-dihydroxy-3-methyloctadec-4-yn-2-yl]dodecanamide IUPAC Name: N-[(2S,3S)-1,3-dihydroxy-3-methyloctadec-4-yn-2-yl]dodecanamide Traditional Name: N-[(1S,2S)-2-hydroxy-2-methyl-1-methylol-heptadec-3-ynyl]lauramide Formula: C31H59NO3 MolecularWeight: 493.80506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(C)(C(CO)NC(=O)CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC#C[C@@](C)([C@H](CO)NC(=O)CCCCCCCCCCC)O

InChI

InChI=1S/C31H59NO3/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-27-31(3,35)29(28-33)32-30(34)26-24-22-20-18-13-11-9-7-5-2/h29,33,35H,4-24,26,28H2,1-3H3,(H,32,34)/t29-,31-/m0/s1