[2-(1-adamantyl)-4-oxidanylidene-azetidin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1-adamantyl)-4-oxidanylidene-azetidin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-(1-adamantyl)-4-oxo-azetidin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-adamantyl)-4-oxo-1-azetidinyl] ester IUPAC Name: [2-(1-adamantyl)-4-oxoazetidin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-adamantyl)-4-keto-azetidin-1-yl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CC2=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CC2=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25NO4S/c1-13-2-4-17(5-3-13)26(23,24)25-21-18(9-19(21)22)20-10-14-6-15(11-20)8-16(7-14)12-20/h2-5,14-16,18H,6-12H2,1H3