tert-butyl (2S)-2-[(1R)-1-oxidanylprop-2-ynyl]octadecanoate

Systemtic Name: tert-butyl (2S)-2-[(1R)-1-oxidanylprop-2-ynyl]octadecanoate Openeye Name: tert-butyl (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]octadecanoate CAS Name: (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]octadecanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1R)-1-hydroxyprop-2-ynyl]octadecanoate Traditional Name: (2S,3R)-2-cetyl-3-hydroxy-pent-4-ynoic acid tert-butyl ester Formula: C25H46O3 MolecularWeight: 394.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C#C)O)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H46O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23(26)7-2)24(27)28-25(3,4)5/h2,22-23,26H,6,8-21H2,1,3-5H3/t22-,23-/m0/s1