[(7S,8S)-2-methyl-8-oxidanyl-octadecan-7-yl] ethanoate

Systemtic Name: [(7S,8S)-2-methyl-8-oxidanyl-octadecan-7-yl] ethanoate Openeye Name: [(1S,2S)-2-hydroxy-1-(5-methylhexyl)dodecyl] acetate CAS Name: acetic acid [(7S,8S)-8-hydroxy-2-methyloctadecan-7-yl] ester IUPAC Name: [(7S,8S)-8-hydroxy-2-methyloctadecan-7-yl] acetate Traditional Name: acetic acid [(1S,2S)-2-hydroxy-1-(5-methylhexyl)dodecyl] ester Formula: C21H42O3 MolecularWeight: 342.55638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCCCC(C)C)OC(=O)C)O

Isomeric SMILES

CCCCCCCCCC[C@@H]([C@H](CCCCC(C)C)OC(=O)C)O

InChI

InChI=1S/C21H42O3/c1-5-6-7-8-9-10-11-12-16-20(23)21(24-19(4)22)17-14-13-15-18(2)3/h18,20-21,23H,5-17H2,1-4H3/t20-,21-/m0/s1