methyl (5Z,8Z,11Z,14Z)-20,20-dideuterio-20-oxidanyl-icosa-5,8,11,14-tetraenoate

Systemtic Name: methyl (5Z,8Z,11Z,14Z)-20,20-dideuterio-20-oxidanyl-icosa-5,8,11,14-tetraenoate Openeye Name: methyl (5Z,8Z,11Z,14Z)-20,20-dideuterio-20-hydroxy-icosa-5,8,11,14-tetraenoate CAS Name: (5Z,8Z,11Z,14Z)-20,20-dideuterio-20-hydroxyeicosa-5,8,11,14-tetraenoic acid methyl ester IUPAC Name: methyl (5Z,8Z,11Z,14Z)-20,20-dideuterio-20-hydroxyicosa-5,8,11,14-tetraenoate Traditional Name: (5Z,8Z,11Z,14Z)-20,20-dideuterio-20-hydroxy-eicosa-5,8,11,14-tetraenoic acid methyl ester Formula: C21H34O3 MolecularWeight: 336.505184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC=CCC=CCC=CCCCCCO

Isomeric SMILES

[2H]C([2H])(CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC)O

InChI

InChI=1S/C21H34O3/c1-24-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22/h2,4-5,7-8,10-11,13,22H,3,6,9,12,14-20H2,1H3/b4-2-,7-5-,10-8-,13-11-/i20D2