[(3R,4S)-3,4-bis(phenylmethoxy)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,4S)-3,4-bis(phenylmethoxy)hexyl] 4-methylbenzenesulfonate Openeye Name: [(3R,4S)-3,4-dibenzyloxyhexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,4S)-3,4-bis(phenylmethoxy)hexyl] ester IUPAC Name: [(3R,4S)-3,4-bis(phenylmethoxy)hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,4S)-3,4-dibenzoxyhexyl] ester Formula: C27H32O5S MolecularWeight: 468.60498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCOS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]([C@@H](CCOS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32O5S/c1-3-26(30-20-23-10-6-4-7-11-23)27(31-21-24-12-8-5-9-13-24)18-19-32-33(28,29)25-16-14-22(2)15-17-25/h4-17,26-27H,3,18-21H2,1-2H3/t26-,27+/m0/s1