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

Systemtic Name: [(2R)-3-hexadecoxy-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-benzyloxy-3-hexadecoxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-hexadecoxy-2-phenylmethoxypropyl] ester IUPAC Name: [(2R)-3-hexadecoxy-2-phenylmethoxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-benzoxy-3-cetyloxy-propyl] ester Formula: C33H52O5S MolecularWeight: 560.82798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-36-28-32(37-27-31-20-17-16-18-21-31)29-38-39(34,35)33-24-22-30(2)23-25-33/h16-18,20-25,32H,3-15,19,26-29H2,1-2H3/t32-/m1/s1