[(2R)-3-octadecoxy-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-octadecoxy-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-benzyloxy-3-octadecoxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-octadecoxy-2-phenylmethoxypropyl] ester IUPAC Name: [(2R)-3-octadecoxy-2-phenylmethoxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-benzoxy-3-stearyloxy-propyl] ester Formula: C35H56O5S MolecularWeight: 588.88114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

InChI

InChI=1S/C35H56O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-38-30-34(39-29-33-22-19-18-20-23-33)31-40-41(36,37)35-26-24-32(2)25-27-35/h18-20,22-27,34H,3-17,21,28-31H2,1-2H3/t34-/m1/s1