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

Systemtic Name: ethyl (2S)-2-methyl-2-[1-[(1S,2S)-2-oxidanylcyclohexyl]oxyethenyl]hexanoate Openeye Name: ethyl (2S)-2-[1-[(1S,2S)-2-hydroxycyclohexoxy]vinyl]-2-methyl-hexanoate CAS Name: (2S)-2-[1-[(1S,2S)-2-hydroxycyclohexyl]oxyethenyl]-2-methylhexanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[1-[(1S,2S)-2-hydroxycyclohexyl]oxyethenyl]-2-methylhexanoate Traditional Name: (2S)-2-butyl-3-[(1S,2S)-2-hydroxycyclohexoxy]-2-methyl-but-3-enoic acid ethyl ester Formula: C17H30O4 MolecularWeight: 298.4177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=C)OC1CCCCC1O)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C17H30O4/c1-5-7-12-17(4,16(19)20-6-2)13(3)21-15-11-9-8-10-14(15)18/h14-15,18H,3,5-12H2,1-2,4H3/t14-,15-,17-/m0/s1