S-phenyl (3S,5R)-3-oxidanyl-5-phenylmethoxy-hexadecanethioate

Systemtic Name: S-phenyl (3S,5R)-3-oxidanyl-5-phenylmethoxy-hexadecanethioate Openeye Name: S-phenyl (3S,5R)-5-benzyloxy-3-hydroxy-hexadecanethioate CAS Name: (3S,5R)-3-hydroxy-5-phenylmethoxyhexadecanethioic acid S-phenyl ester IUPAC Name: S-phenyl (3S,5R)-3-hydroxy-5-phenylmethoxyhexadecanethioate Traditional Name: (3S,5R)-5-benzoxy-3-hydroxy-hexadecanethioic acid S-phenyl ester Formula: C29H42O3S MolecularWeight: 470.70698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(CC(=O)SC1=CC=CC=C1)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H](CC(=O)SC1=CC=CC=C1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H42O3S/c1-2-3-4-5-6-7-8-9-14-19-27(32-24-25-17-12-10-13-18-25)22-26(30)23-29(31)33-28-20-15-11-16-21-28/h10-13,15-18,20-21,26-27,30H,2-9,14,19,22-24H2,1H3/t26-,27+/m0/s1