ethyl 2-[(1R,3S)-1-oxidanyl-3-[(E)-3-oxidanylundec-1-enyl]cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[(1R,3S)-1-oxidanyl-3-[(E)-3-oxidanylundec-1-enyl]cyclohexyl]ethanoate Openeye Name: ethyl 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetate CAS Name: 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetate Traditional Name: 2-[(1R,3S)-1-hydroxy-3-[(E)-3-hydroxyundec-1-enyl]cyclohexyl]acetic acid ethyl ester Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC1CCCC(C1)(CC(=O)OCC)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/[C@H]1CCC[C@@](C1)(CC(=O)OCC)O)O

InChI

InChI=1S/C21H38O4/c1-3-5-6-7-8-9-12-19(22)14-13-18-11-10-15-21(24,16-18)17-20(23)25-4-2/h13-14,18-19,22,24H,3-12,15-17H2,1-2H3/b14-13+/t18-,19?,21-/m1/s1