S-[(2S)-1-hexadecoxy-3-oxidanyl-propan-2-yl] octanethioate

Systemtic Name: S-[(2S)-1-hexadecoxy-3-oxidanyl-propan-2-yl] octanethioate Openeye Name: S-[(1S)-1-(hexadecoxymethyl)-2-hydroxy-ethyl] octanethioate CAS Name: octanethioic acid S-[(2S)-1-hexadecoxy-3-hydroxypropan-2-yl] ester IUPAC Name: S-[(2S)-1-hexadecoxy-3-hydroxypropan-2-yl] octanethioate Traditional Name: octanethioic acid S-[(1S)-1-(cetyloxymethyl)-2-hydroxy-ethyl] ester Formula: C27H54O3S MolecularWeight: 458.78086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CO)SC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](CO)SC(=O)CCCCCCC

InChI

InChI=1S/C27H54O3S/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-30-25-26(24-28)31-27(29)22-20-18-8-6-4-2/h26,28H,3-25H2,1-2H3/t26-/m0/s1