S-[(2R)-1-bis(chloranyl)phosphoryloxy-3-hexoxy-propan-2-yl] 3-phenylpropanethioate

Systemtic Name: S-[(2R)-1-bis(chloranyl)phosphoryloxy-3-hexoxy-propan-2-yl] 3-phenylpropanethioate Openeye Name: S-[(1R)-1-(dichlorophosphoryloxymethyl)-2-hexoxy-ethyl] 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-[(2R)-1-dichlorophosphoryloxy-3-hexoxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-dichlorophosphoryloxy-3-hexoxypropan-2-yl] 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-[(1R)-1-(dichlorophosphoryloxymethyl)-2-hexoxy-ethyl] ester Formula: C18H27Cl2O4PS MolecularWeight: 441.349341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(COP(=O)(Cl)Cl)SC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCOC[C@H](COP(=O)(Cl)Cl)SC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C18H27Cl2O4PS/c1-2-3-4-8-13-23-14-17(15-24-25(19,20)22)26-18(21)12-11-16-9-6-5-7-10-16/h5-7,9-10,17H,2-4,8,11-15H2,1H3/t17-/m1/s1