[(4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonate; 2-phenylethanoylazanium

Systemtic Name: [(4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonate; 2-phenylethanoylazanium Openeye Name: [(1S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonate; (2-phenylacetyl)ammonium CAS Name: [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate; (1-oxo-2-phenylethyl)ammonium IUPAC Name: [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate; (2-phenylacetyl)azanium Traditional Name: [(1S)-2-keto-7,7-dimethyl-norbornan-1-yl]methanesulfonate; (2-phenylacetyl)ammonium Formula: C18H25NO5S MolecularWeight: 367.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1=CC=C(C=C1)CC(=O)[NH3+]

Isomeric SMILES

CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)[O-])C.C1=CC=C(C=C1)CC(=O)[NH3+]

InChI

InChI=1S/C10H16O4S.C8H9NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;9-8(10)6-7-4-2-1-3-5-7/h7H,3-6H2,1-2H3,(H,12,13,14);1-5H,6H2,(H2,9,10)/t7?,10-;/m1./s1