[(4R,5R)-5-phenylmethoxypentadec-1-en-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4R,5R)-5-phenylmethoxypentadec-1-en-4-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R)-1-allyl-2-benzyloxy-dodecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R,5R)-5-phenylmethoxypentadec-1-en-4-yl] ester IUPAC Name: [(4R,5R)-5-phenylmethoxypentadec-1-en-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(1R)-1-benzoxyundecyl]but-3-enyl] ester Formula: C29H42O4S MolecularWeight: 486.70638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CC=C)OS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC[C@H]([C@@H](CC=C)OS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

InChI

InChI=1S/C29H42O4S/c1-4-6-7-8-9-10-11-15-19-28(32-24-26-17-13-12-14-18-26)29(16-5-2)33-34(30,31)27-22-20-25(3)21-23-27/h5,12-14,17-18,20-23,28-29H,2,4,6-11,15-16,19,24H2,1,3H3/t28-,29-/m1/s1