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

Systemtic Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxy-propan-2-yl] benzenecarbothioate Openeye Name: S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-dimethoxyphosphoryloxy-3-hexoxypropan-2-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1R)-1-(dimethoxyphosphoryloxymethyl)-2-hexoxy-ethyl] ester Formula: C18H29O6PS MolecularWeight: 404.458021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29O6PS/c1-4-5-6-10-13-23-14-17(15-24-25(20,21-2)22-3)26-18(19)16-11-8-7-9-12-16/h7-9,11-12,17H,4-6,10,13-15H2,1-3H3/t17-/m1/s1