[(3R,4S)-4-cyano-3,4-bis[4-(2-methoxyethoxymethoxy)phenyl]butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,4S)-4-cyano-3,4-bis[4-(2-methoxyethoxymethoxy)phenyl]butyl] 4-methylbenzenesulfonate Openeye Name: [(3R,4S)-4-cyano-3,4-bis[4-(2-methoxyethoxymethoxy)phenyl]butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,4S)-4-cyano-3,4-bis[4-(2-methoxyethoxymethoxy)phenyl]butyl] ester IUPAC Name: [(3R,4S)-4-cyano-3,4-bis[4-(2-methoxyethoxymethoxy)phenyl]butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,4S)-4-cyano-3,4-bis[4-(2-methoxyethoxymethoxy)phenyl]butyl] ester Formula: C32H39NO9S MolecularWeight: 613.71836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=C(C=C2)OCOCCOC)C(C#N)C3=CC=C(C=C3)OCOCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H](C2=CC=C(C=C2)OCOCCOC)[C@H](C#N)C3=CC=C(C=C3)OCOCCOC

InChI

InChI=1S/C32H39NO9S/c1-25-4-14-30(15-5-25)43(34,35)42-17-16-31(26-6-10-28(11-7-26)40-23-38-20-18-36-2)32(22-33)27-8-12-29(13-9-27)41-24-39-21-19-37-3/h4-15,31-32H,16-21,23-24H2,1-3H3/t31-,32+/m0/s1