S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxy-propan-2-yl] 4-methylpentanethioate

Systemtic Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxy-propan-2-yl] 4-methylpentanethioate Openeye Name: S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] 4-methylpentanethioate CAS Name: 4-methylpentanethioic acid S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] 4-methylpentanethioate Traditional Name: 4-methylpentanethioic acid S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] ester Formula: C17H35O6PS MolecularWeight: 398.494961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(COP(=O)(OC)OC)SC(=O)CCC(C)C

Isomeric SMILES

CCCCCCOC[C@H](COP(=O)(OC)OC)SC(=O)CCC(C)C

InChI

InChI=1S/C17H35O6PS/c1-6-7-8-9-12-22-13-16(14-23-24(19,20-4)21-5)25-17(18)11-10-15(2)3/h15-16H,6-14H2,1-5H3/t16-/m1/s1