propyl (3S,5Z,8Z)-3,10,11,12-tetradeuterio-3-oxidanyl-tetradeca-5,8-dienoate

Systemtic Name: propyl (3S,5Z,8Z)-3,10,11,12-tetradeuterio-3-oxidanyl-tetradeca-5,8-dienoate Openeye Name: propyl (3S,5Z,8Z)-3,10,11,12-tetradeuterio-3-hydroxy-tetradeca-5,8-dienoate CAS Name: (3S,5Z,8Z)-3,10,11,12-tetradeuterio-3-hydroxytetradeca-5,8-dienoic acid propyl ester IUPAC Name: propyl (3S,5Z,8Z)-3,10,11,12-tetradeuterio-3-hydroxytetradeca-5,8-dienoate Traditional Name: (3S,5Z,8Z)-3,10,11,12-tetradeuterio-3-hydroxy-tetradeca-5,8-dienoic acid propyl ester Formula: C17H30O3 MolecularWeight: 286.442947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC(CC(=O)OCCC)O

Isomeric SMILES

[2H]C(CC)C([2H])C([2H])/C=C\C/C=C\C[C@@]([2H])(CC(=O)OCCC)O

InChI

InChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-13-16(18)15-17(19)20-14-4-2/h8-9,11-12,16,18H,3-7,10,13-15H2,1-2H3/b9-8-,12-11-/t16-/m0/s1/i5D,6D,7D,16D/t5?,6?,7?,16-