calcium 4-chloranylbenzenesulfonate

Systemtic Name: calcium 4-chloranylbenzenesulfonate Openeye Name: calcium 4-chlorobenzenesulfonate CAS Name: calcium 4-chlorobenzenesulfonate IUPAC Name: calcium 4-chlorobenzenesulfonate Traditional Name: calcium 4-chlorobesylate Formula: C12H8CaCl2O6S2 MolecularWeight: 423.30232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)[O-])Cl.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)[O-])Cl.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/2C6H5ClO3S.Ca/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4H,(H,8,9,10);/q;;+2/p-2