tert-butyl [(3R,4S)-3-methyldodec-1-yn-4-yl] carbonate

Systemtic Name: tert-butyl [(3R,4S)-3-methyldodec-1-yn-4-yl] carbonate Openeye Name: tert-butyl [(1S)-1-[(1R)-1-methylprop-2-ynyl]nonyl] carbonate CAS Name: carbonic acid tert-butyl [(3R,4S)-3-methyldodec-1-yn-4-yl] ester IUPAC Name: tert-butyl [(3R,4S)-3-methyldodec-1-yn-4-yl] carbonate Traditional Name: carbonic acid tert-butyl [(1S,2R)-2-methyl-1-octyl-but-3-ynyl] ester Formula: C18H32O3 MolecularWeight: 296.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C)C#C)OC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCC[C@@H]([C@H](C)C#C)OC(=O)OC(C)(C)C

InChI

InChI=1S/C18H32O3/c1-7-9-10-11-12-13-14-16(15(3)8-2)20-17(19)21-18(4,5)6/h2,15-16H,7,9-14H2,1,3-6H3/t15-,16+/m1/s1