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

Systemtic Name: S-[(2R)-1-hexoxy-3-[methoxy(oxidanyl)phosphoryl]oxy-propan-2-yl] benzenecarbothioate Openeye Name: S-[(1R)-1-(hexoxymethyl)-2-[hydroxy(methoxy)phosphoryl]oxy-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic 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] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1R)-1-(hexoxymethyl)-2-[hydroxy(methoxy)phosphoryl]oxy-ethyl] ester Formula: C17H27O6PS MolecularWeight: 390.431441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27O6PS/c1-3-4-5-9-12-22-13-16(14-23-24(19,20)21-2)25-17(18)15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,19,20)/t16-/m1/s1