sodium 3-acetyloxy-7,7-dimethyl-bicyclo[2.2.1]heptane-4-sulfonic acid

Systemtic Name: sodium 3-acetyloxy-7,7-dimethyl-bicyclo[2.2.1]heptane-4-sulfonic acid Openeye Name: sodium 2-acetoxy-7,7-dimethyl-norbornane-1-sulfonic acid CAS Name: sodium 3-acetyloxy-7,7-dimethyl-4-bicyclo[2.2.1]heptanesulfonic acid IUPAC Name: sodium 3-acetyloxy-7,7-dimethylbicyclo[2.2.1]heptane-4-sulfonic acid Traditional Name: sodium 2-acetoxy-7,7-dimethyl-norbornane-1-sulfonic acid Formula: C11H18NaO5S+ MolecularWeight: 285.31239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2CCC1(C2(C)C)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC(=O)OC1CC2CCC1(C2(C)C)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H18O5S.Na/c1-7(12)16-9-6-8-4-5-11(9,10(8,2)3)17(13,14)15;/h8-9H,4-6H2,1-3H3,(H,13,14,15);/q;+1