S-[(2R)-1-[(4-methoxyphenyl)-diphenyl-methoxy]-3-octoxy-propan-2-yl] octanethioate

Systemtic Name: S-[(2R)-1-[(4-methoxyphenyl)-diphenyl-methoxy]-3-octoxy-propan-2-yl] octanethioate Openeye Name: S-[(1R)-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-octoxy-ethyl] octanethioate CAS Name: octanethioic acid S-[(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropan-2-yl] ester IUPAC Name: S-[(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropan-2-yl] octanethioate Traditional Name: octanethioic acid S-[(1R)-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-octoxy-ethyl] ester Formula: C39H54O4S MolecularWeight: 618.90866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCOC[C@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)SC(=O)CCCCCCC

InChI

InChI=1S/C39H54O4S/c1-4-6-8-10-12-20-30-42-31-37(44-38(40)25-19-11-9-7-5-2)32-43-39(33-21-15-13-16-22-33,34-23-17-14-18-24-34)35-26-28-36(41-3)29-27-35/h13-18,21-24,26-29,37H,4-12,19-20,25,30-32H2,1-3H3/t37-/m1/s1