methyl (E,12S,15S)-12,15-bis(oxidanyl)docos-13-enoate

Systemtic Name: methyl (E,12S,15S)-12,15-bis(oxidanyl)docos-13-enoate Openeye Name: methyl (E,12S,15S)-12,15-dihydroxydocos-13-enoate CAS Name: (E,12S,15S)-12,15-dihydroxy-13-docosenoic acid methyl ester IUPAC Name: methyl (E,12S,15S)-12,15-dihydroxydocos-13-enoate Traditional Name: (E,12S,15S)-12,15-dihydroxydocos-13-enoic acid methyl ester Formula: C23H44O4 MolecularWeight: 384.59306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C=CC(CCCCCCCCCCC(=O)OC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H44O4/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/h19-22,24-25H,3-18H2,1-2H3/b20-19+/t21-,22-/m0/s1