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

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)-diphenyl-methoxy]-3-pentoxy-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-2-pentoxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-pentoxypropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-pentoxypropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-(amoxymethyl)-2-[(4-methoxyphenyl)-diphenyl-methoxy]ethyl] ester Formula: C35H40O6S MolecularWeight: 588.7535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC(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

CCCCCOC[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/C35H40O6S/c1-4-5-12-25-39-26-33(41-42(36,37)34-23-17-28(2)18-24-34)27-40-35(29-13-8-6-9-14-29,30-15-10-7-11-16-30)31-19-21-32(38-3)22-20-31/h6-11,13-24,33H,4-5,12,25-27H2,1-3H3/t33-/m0/s1