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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COCCC(C)(C)C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](COCCC(C)(C)C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C36H42O6S/c1-28-16-22-34(23-17-28)43(37,38)42-33(26-40-25-24-35(2,3)4)27-41-36(29-12-8-6-9-13-29,30-14-10-7-11-15-30)31-18-20-32(39-5)21-19-31/h6-23,33H,24-27H2,1-5H3/t33-/m0/s1