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

Systemtic Name: tert-butyl N-[1,3-bis(oxidanyl)octadec-4-yn-2-yl]carbamate Openeye Name: tert-butyl N-[2-hydroxy-1-(hydroxymethyl)heptadec-3-ynyl]carbamate CAS Name: N-(1,3-dihydroxyoctadec-4-yn-2-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1,3-dihydroxyoctadec-4-yn-2-yl)carbamate Traditional Name: N-(2-hydroxy-1-methylol-heptadec-3-ynyl)carbamic acid tert-butyl ester Formula: C23H43NO4 MolecularWeight: 397.59182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43NO4/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/h20-21,25-26H,5-16,19H2,1-4H3,(H,24,27)