methyl (12S,15S)-12,15-bis(oxidanyl)docosanoate

Systemtic Name: methyl (12S,15S)-12,15-bis(oxidanyl)docosanoate Openeye Name: methyl (12S,15S)-12,15-dihydroxydocosanoate CAS Name: (12S,15S)-12,15-dihydroxydocosanoic acid methyl ester IUPAC Name: methyl (12S,15S)-12,15-dihydroxydocosanoate Traditional Name: (12S,15S)-12,15-dihydroxybehenic acid methyl ester Formula: C23H46O4 MolecularWeight: 386.60894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC(CCCCCCCCCCC(=O)OC)O)O

Isomeric SMILES

CCCCCCC[C@@H](CC[C@H](CCCCCCCCCCC(=O)OC)O)O

InChI

InChI=1S/C23H46O4/c1-3-4-5-10-13-16-21(24)19-20-22(25)17-14-11-8-6-7-9-12-15-18-23(26)27-2/h21-22,24-25H,3-20H2,1-2H3/t21-,22-/m0/s1