methyl (5S)-2,2,5-trideuterio-5-oxidanyl-octanoate

Systemtic Name: methyl (5S)-2,2,5-trideuterio-5-oxidanyl-octanoate Openeye Name: methyl (5S)-2,2,5-trideuterio-5-hydroxy-octanoate CAS Name: (5S)-2,2,5-trideuterio-5-hydroxyoctanoic acid methyl ester IUPAC Name: methyl (5S)-2,2,5-trideuterio-5-hydroxyoctanoate Traditional Name: (5S)-2,2,5-trideuterio-5-hydroxy-caprylic acid methyl ester Formula: C9H18O3 MolecularWeight: 177.255905

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(=O)OC)O

Isomeric SMILES

[2H][C@](CCC)(CCC([2H])([2H])C(=O)OC)O

InChI

InChI=1S/C9H18O3/c1-3-5-8(10)6-4-7-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1/i7D2,8D