methyl 5-(1,1-dideuteriododecylsulfanyl)pentanoate

Systemtic Name: methyl 5-(1,1-dideuteriododecylsulfanyl)pentanoate Openeye Name: methyl 5-(1,1-dideuteriododecylsulfanyl)pentanoate CAS Name: 5-(1,1-dideuteriododecylthio)pentanoic acid methyl ester IUPAC Name: methyl 5-(1,1-dideuteriododecylsulfanyl)pentanoate Traditional Name: 5-(1,1-dideuteriododecylthio)valeric acid methyl ester Formula: C18H36O2S MolecularWeight: 318.554564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCC(=O)OC

Isomeric SMILES

[2H]C([2H])(CCCCCCCCCCC)SCCCCC(=O)OC

InChI

InChI=1S/C18H36O2S/c1-3-4-5-6-7-8-9-10-11-13-16-21-17-14-12-15-18(19)20-2/h3-17H2,1-2H3/i16D2