ethyl (2S)-2-methyl-2-[1-[(1S,2S)-2-oxidanylcyclohexyl]oxyethenyl]pentanoate

Systemtic Name: ethyl (2S)-2-methyl-2-[1-[(1S,2S)-2-oxidanylcyclohexyl]oxyethenyl]pentanoate Openeye Name: ethyl (2S)-2-[1-[(1S,2S)-2-hydroxycyclohexoxy]vinyl]-2-methyl-pentanoate CAS Name: (2S)-2-[1-[(1S,2S)-2-hydroxycyclohexyl]oxyethenyl]-2-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[1-[(1S,2S)-2-hydroxycyclohexyl]oxyethenyl]-2-methylpentanoate Traditional Name: (2S)-3-[(1S,2S)-2-hydroxycyclohexoxy]-2-methyl-2-propyl-but-3-enoic acid ethyl ester Formula: C16H28O4 MolecularWeight: 284.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=C)OC1CCCCC1O)C(=O)OCC

Isomeric SMILES

CCC[C@@](C)(C(=C)O[C@H]1CCCC[C@@H]1O)C(=O)OCC

InChI

InChI=1S/C16H28O4/c1-5-11-16(4,15(18)19-6-2)12(3)20-14-10-8-7-9-13(14)17/h13-14,17H,3,5-11H2,1-2,4H3/t13-,14-,16-/m0/s1