methyl (E)-12-oxidanyldocos-13-enoate

Systemtic Name: methyl (E)-12-oxidanyldocos-13-enoate Openeye Name: methyl (E)-12-hydroxydocos-13-enoate CAS Name: (E)-12-hydroxy-13-docosenoic acid methyl ester IUPAC Name: methyl (E)-12-hydroxydocos-13-enoate Traditional Name: (E)-12-hydroxydocos-13-enoic acid methyl ester Formula: C23H44O3 MolecularWeight: 368.59366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(CCCCCCCCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H44O3/c1-3-4-5-6-7-10-13-16-19-22(24)20-17-14-11-8-9-12-15-18-21-23(25)26-2/h16,19,22,24H,3-15,17-18,20-21H2,1-2H3/b19-16+