tert-butyl (2S)-2-[(1S)-7-methyl-1-oxidanyl-oct-6-enyl]docosanoate

Systemtic Name: tert-butyl (2S)-2-[(1S)-7-methyl-1-oxidanyl-oct-6-enyl]docosanoate Openeye Name: tert-butyl (2S)-2-[(1S)-1-hydroxy-7-methyl-oct-6-enyl]docosanoate CAS Name: (2S)-2-[(1S)-1-hydroxy-7-methyloct-6-enyl]docosanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1S)-1-hydroxy-7-methyloct-6-enyl]docosanoate Traditional Name: (2S,3S)-2-arachyl-3-hydroxy-9-methyl-dec-8-enoic acid tert-butyl ester Formula: C35H68O3 MolecularWeight: 536.91262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(CCCCC=C(C)C)O)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C35H68O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-32(34(37)38-35(4,5)6)33(36)30-27-24-25-28-31(2)3/h28,32-33,36H,7-27,29-30H2,1-6H3/t32-,33-/m0/s1