sodium (3S,4S)-3,4-dimethyl-1-oxidanyl-cyclopentane-1-sulfonate

Systemtic Name: sodium (3S,4S)-3,4-dimethyl-1-oxidanyl-cyclopentane-1-sulfonate Openeye Name: sodium (3S,4S)-1-hydroxy-3,4-dimethyl-cyclopentanesulfonate CAS Name: sodium (3S,4S)-1-hydroxy-3,4-dimethyl-1-cyclopentanesulfonate IUPAC Name: sodium (3S,4S)-1-hydroxy-3,4-dimethylcyclopentane-1-sulfonate Traditional Name: sodium (3S,4S)-1-hydroxy-3,4-dimethyl-cyclopentanesulfonate Formula: C7H13NaO4S MolecularWeight: 216.23049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC1C)(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[C@H]1CC(C[C@@H]1C)(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H14O4S.Na/c1-5-3-7(8,4-6(5)2)12(9,10)11;/h5-6,8H,3-4H2,1-2H3,(H,9,10,11);/q;+1/p-1/t5-,6-;/m0./s1