tert-butyl N-[(2S)-1-oxidanyl-3-oxidanylidene-octadec-4-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanyl-3-oxidanylidene-octadec-4-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(hydroxymethyl)-2-oxo-heptadec-3-ynyl]carbamate CAS Name: N-[(2S)-1-hydroxy-3-oxooctadec-4-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-hydroxy-3-oxooctadec-4-yn-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methylol-heptadec-3-ynyl]carbamic acid tert-butyl ester Formula: C23H41NO4 MolecularWeight: 395.57594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)20(19-25)24-22(27)28-23(2,3)4/h20,25H,5-16,19H2,1-4H3,(H,24,27)/t20-/m0/s1