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

Systemtic Name: tert-butyl N-[(2S)-1-oxidanyl-3-oxidanylidene-tridec-4-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(hydroxymethyl)-2-oxo-dodec-3-ynyl]carbamate CAS Name: N-[(2S)-1-hydroxy-3-oxotridec-4-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-hydroxy-3-oxotridec-4-yn-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methylol-dodec-3-ynyl]carbamic acid tert-butyl ester Formula: C18H31NO4 MolecularWeight: 325.44304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO4/c1-5-6-7-8-9-10-11-12-13-16(21)15(14-20)19-17(22)23-18(2,3)4/h15,20H,5-11,14H2,1-4H3,(H,19,22)/t15-/m0/s1