calcium 3-methyl-5-oxidanyl-benzenesulfonic acid

Systemtic Name: calcium 3-methyl-5-oxidanyl-benzenesulfonic acid Openeye Name: calcium 3-hydroxy-5-methyl-benzenesulfonic acid CAS Name: calcium 3-hydroxy-5-methylbenzenesulfonic acid IUPAC Name: calcium 3-hydroxy-5-methylbenzenesulfonic acid Traditional Name: calcium 3-hydroxy-5-methyl-besylic acid Formula: C7H8CaO4S+2 MolecularWeight: 228.27902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)O)O.[Ca+2]

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)O)O.[Ca+2]

InChI

InChI=1S/C7H8O4S.Ca/c1-5-2-6(8)4-7(3-5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);/q;+2