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

Systemtic Name: [(2S)-1-hexoxy-3-[(4-methoxyphenyl)-diphenyl-methoxy]propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-(hexoxymethyl)-2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-hexoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-hexoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-(hexoxymethyl)-2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl] ester Formula: C36H42O6S MolecularWeight: 602.78008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(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

CCCCCCOC[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/C36H42O6S/c1-4-5-6-13-26-40-27-34(42-43(37,38)35-24-18-29(2)19-25-35)28-41-36(30-14-9-7-10-15-30,31-16-11-8-12-17-31)32-20-22-33(39-3)23-21-32/h7-12,14-25,34H,4-6,13,26-28H2,1-3H3/t34-/m0/s1