2-[(2R,3S)-3-phenethyl-2,3-diphenyl-oxiran-2-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2R,3S)-3-phenethyl-2,3-diphenyl-oxiran-2-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2R,3S)-3-phenethyl-2,3-diphenyl-oxiran-2-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(2R,3S)-3-phenethyl-2,3-diphenyl-2-oxiranyl]ethyl ester IUPAC Name: 2-[(2R,3S)-3-phenethyl-2,3-diphenyloxiran-2-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2R,3S)-3-phenethyl-2,3-diphenyl-oxiran-2-yl]ethyl ester Formula: C31H30O4S MolecularWeight: 498.6325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(C(O2)(CCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@]2([C@](O2)(CCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30O4S/c1-25-17-19-29(20-18-25)36(32,33)34-24-23-31(28-15-9-4-10-16-28)30(35-31,27-13-7-3-8-14-27)22-21-26-11-5-2-6-12-26/h2-20H,21-24H2,1H3/t30-,31+/m0/s1