[(2R,3R)-3-cyano-2-oxidanyl-4-(triphenylmethyl)oxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-3-cyano-2-oxidanyl-4-(triphenylmethyl)oxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-3-cyano-2-hydroxy-4-trityloxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-cyano-2-hydroxy-4-(triphenylmethyl)oxybutyl] ester IUPAC Name: [(2R,3R)-3-cyano-2-hydroxy-4-trityloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-cyano-2-hydroxy-4-trityloxy-butyl] ester Formula: C31H29NO5S MolecularWeight: 527.63066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C31H29NO5S/c1-24-17-19-29(20-18-24)38(34,35)37-23-30(33)25(21-32)22-36-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,25,30,33H,22-23H2,1H3/t25-,30+/m1/s1