calcium 2-propan-2-ylbenzenesulfonate

Systemtic Name: calcium 2-propan-2-ylbenzenesulfonate Openeye Name: calcium 2-isopropylbenzenesulfonate CAS Name: calcium 2-propan-2-ylbenzenesulfonate IUPAC Name: calcium 2-propan-2-ylbenzenesulfonate Traditional Name: calcium 2-isopropylbesylate Formula: C18H22CaO6S2 MolecularWeight: 438.57168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H12O3S.Ca/c2*1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h2*3-7H,1-2H3,(H,10,11,12);/q;;+2/p-2