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

Systemtic Name: calcium [(4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]methanesulfonate Openeye Name: calcium [(1S)-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonate CAS Name: calcium [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate IUPAC Name: calcium [(4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonate Traditional Name: calcium [(1S)-2-keto-7,7-dimethyl-norbornan-1-yl]methanesulfonate Formula: C20H30CaO8S2 MolecularWeight: 502.6554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.[Ca+2]

Isomeric SMILES

CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)[O-])C.CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)[O-])C.[Ca+2]

InChI

InChI=1S/2C10H16O4S.Ca/c2*1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h2*7H,3-6H2,1-2H3,(H,12,13,14);/q;;+2/p-2/t2*7?,10-;/m11./s1