(2-oxidanylidene-4-undecyl-azetidin-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-4-undecyl-azetidin-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-oxo-4-undecyl-azetidin-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-4-undecyl-1-azetidinyl) ester IUPAC Name: (2-oxo-4-undecylazetidin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-4-undecyl-azetidin-1-yl) ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1CC(=O)N1OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCC1CC(=O)N1OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H33NO4S/c1-3-4-5-6-7-8-9-10-11-12-19-17-21(23)22(19)26-27(24,25)20-15-13-18(2)14-16-20/h13-16,19H,3-12,17H2,1-2H3