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

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)-diphenyl-methoxy]-3-[(4-phenylphenyl)methoxy]propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-[(4-phenylphenyl)methoxy]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenylphenyl)methoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenylphenyl)methoxy]propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-(4-phenylbenzyl)oxy-ethyl] ester Formula: C43H40O6S MolecularWeight: 684.8391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COCC2=CC=C(C=C2)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](COCC2=CC=C(C=C2)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C43H40O6S/c1-33-18-28-42(29-19-33)50(44,45)49-41(31-47-30-34-20-22-36(23-21-34)35-12-6-3-7-13-35)32-48-43(37-14-8-4-9-15-37,38-16-10-5-11-17-38)39-24-26-40(46-2)27-25-39/h3-29,41H,30-32H2,1-2H3/t41-/m0/s1