(6-chloranylbenzotriazol-1-yl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: (6-chloranylbenzotriazol-1-yl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: (6-chlorobenzotriazol-1-yl) (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid (6-chloro-1-benzotriazolyl) ester IUPAC Name: (6-chlorobenzotriazol-1-yl) (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid (6-chlorobenzotriazol-1-yl) ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)ON3C4=C(C=CC(=C4)Cl)N=N3)C

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)ON3C4=C(C=CC(=C4)Cl)N=N3)C

InChI

InChI=1S/C16H18ClN3O4S/c1-15(2)10-5-6-16(15,14(21)7-10)9-25(22,23)24-20-13-8-11(17)3-4-12(13)18-19-20/h3-4,8,10H,5-7,9H2,1-2H3