S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxy-propan-2-yl] (E)-pent-2-enethioate

Systemtic Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxy-propan-2-yl] (E)-pent-2-enethioate Openeye Name: S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] (E)-pent-2-enethioate CAS Name: (E)-2-pentenethioic acid S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] (E)-pent-2-enethioate Traditional Name: (E)-pent-2-enethioic acid S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] ester Formula: C16H31O6PS MolecularWeight: 382.452501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31O6PS/c1-5-7-9-10-12-21-13-15(24-16(17)11-8-6-2)14-22-23(18,19-3)20-4/h8,11,15H,5-7,9-10,12-14H2,1-4H3/b11-8+/t15-/m1/s1