(1-octadecylazetidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-octadecylazetidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-octadecylazetidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-octadecyl-3-azetidinyl) ester IUPAC Name: (1-octadecylazetidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-stearylazetidin-3-yl) ester Formula: C28H49NO3S MolecularWeight: 479.75856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CC(C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CC(C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C28H49NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-29-24-27(25-29)32-33(30,31)28-21-19-26(2)20-22-28/h19-22,27H,3-18,23-25H2,1-2H3