[(2S)-1-[(4-methoxyphenyl)-diphenyl-methoxy]-3-propoxy-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)-diphenyl-methoxy]-3-propoxy-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-propoxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-propoxypropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-propoxypropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-propoxy-ethyl] ester Formula: C33H36O6S MolecularWeight: 560.70034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCOC[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H36O6S/c1-4-23-37-24-31(39-40(34,35)32-21-15-26(2)16-22-32)25-38-33(27-11-7-5-8-12-27,28-13-9-6-10-14-28)29-17-19-30(36-3)20-18-29/h5-22,31H,4,23-25H2,1-3H3/t31-/m0/s1