S-[(2R)-1-hexoxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propan-2-yl] 3-phenylpropanethioate

Systemtic Name: S-[(2R)-1-hexoxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propan-2-yl] 3-phenylpropanethioate Openeye Name: S-[(1R)-1-(hexoxymethyl)-2-[hydroxy(methoxy)phosphoryl]oxy-ethyl] 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-[(2R)-1-hexoxy-3-[hydroxy(methoxy)phosphoryl]oxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-hexoxy-3-[hydroxy(methoxy)phosphoryl]oxypropan-2-yl] 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-[(1R)-1-(hexoxymethyl)-2-[hydroxy(methoxy)phosphoryl]oxy-ethyl] ester Formula: C19H31O6PS MolecularWeight: 418.484601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31O6PS/c1-3-4-5-9-14-24-15-18(16-25-26(21,22)23-2)27-19(20)13-12-17-10-7-6-8-11-17/h6-8,10-11,18H,3-5,9,12-16H2,1-2H3,(H,21,22)/t18-/m1/s1