calcium 2-methyl-6-oxidanyl-benzenesulfonate

Systemtic Name: calcium 2-methyl-6-oxidanyl-benzenesulfonate Openeye Name: calcium 2-hydroxy-6-methyl-benzenesulfonate CAS Name: calcium 2-hydroxy-6-methylbenzenesulfonate IUPAC Name: calcium 2-hydroxy-6-methylbenzenesulfonate Traditional Name: calcium 2-hydroxy-6-methyl-besylate Formula: C14H14CaO8S2 MolecularWeight: 414.46416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O4S.Ca/c2*1-5-3-2-4-6(8)7(5)12(9,10)11;/h2*2-4,8H,1H3,(H,9,10,11);/q;;+2/p-2