methyl (6Z,8R,9Z,11R,12Z)-8-deuterio-11-oxidanyl-octadeca-6,9,12-trienoate

Systemtic Name: methyl (6Z,8R,9Z,11R,12Z)-8-deuterio-11-oxidanyl-octadeca-6,9,12-trienoate Openeye Name: methyl (6Z,8R,9Z,11R,12Z)-8-deuterio-11-hydroxy-octadeca-6,9,12-trienoate CAS Name: (6Z,8R,9Z,11R,12Z)-8-deuterio-11-hydroxyoctadeca-6,9,12-trienoic acid methyl ester IUPAC Name: methyl (6Z,8R,9Z,11R,12Z)-8-deuterio-11-hydroxyoctadeca-6,9,12-trienoate Traditional Name: (6Z,8R,9Z,11R,12Z)-8-deuterio-11-hydroxy-octadeca-6,9,12-trienoic acid methyl ester Formula: C19H32O3 MolecularWeight: 309.461742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C=CCC=CCCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C19H32O3/c1-3-4-5-9-12-15-18(20)16-13-10-7-6-8-11-14-17-19(21)22-2/h6-7,12-13,15-16,18,20H,3-5,8-11,14,17H2,1-2H3/b7-6-,15-12-,16-13-/t18-/m1/s1/i10D/t10-,18-