(3-azido-4-oxidanylidene-azetidin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-azido-4-oxidanylidene-azetidin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-azido-4-oxo-azetidin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-azido-4-oxo-2-azetidinyl)methyl ester IUPAC Name: (3-azido-4-oxoazetidin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-azido-4-keto-azetidin-2-yl)methyl ester Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)N=[N+]=[N-]

InChI

InChI=1S/C11H12N4O4S/c1-7-2-4-8(5-3-7)20(17,18)19-6-9-10(14-15-12)11(16)13-9/h2-5,9-10H,6H2,1H3,(H,13,16)