(phenylmethyl) (2S)-2-[(1R)-1-oxidanyl-2-(2-pentyl-1,3-dithian-2-yl)ethyl]octanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(1R)-1-oxidanyl-2-(2-pentyl-1,3-dithian-2-yl)ethyl]octanoate Openeye Name: benzyl (2S)-2-[(1R)-1-hydroxy-2-(2-pentyl-1,3-dithian-2-yl)ethyl]octanoate CAS Name: (2S)-2-[(1R)-1-hydroxy-2-(2-pentyl-1,3-dithian-2-yl)ethyl]octanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1R)-1-hydroxy-2-(2-pentyl-1,3-dithian-2-yl)ethyl]octanoate Traditional Name: (2S)-2-[(1R)-2-(2-amyl-1,3-dithian-2-yl)-1-hydroxy-ethyl]caprylic acid benzyl ester Formula: C26H42O3S2 MolecularWeight: 466.73988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC1(SCCCS1)CCCCC)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@@H]([C@@H](CC1(SCCCS1)CCCCC)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H42O3S2/c1-3-5-7-11-16-23(25(28)29-21-22-14-9-8-10-15-22)24(27)20-26(17-12-6-4-2)30-18-13-19-31-26/h8-10,14-15,23-24,27H,3-7,11-13,16-21H2,1-2H3/t23-,24+/m0/s1