calcium 4-tert-butylbenzenesulfonate

Systemtic Name: calcium 4-tert-butylbenzenesulfonate Openeye Name: calcium 4-tert-butylbenzenesulfonate CAS Name: calcium 4-tert-butylbenzenesulfonate IUPAC Name: calcium 4-tert-butylbenzenesulfonate Traditional Name: calcium 4-tert-butylbesylate Formula: C20H26CaO6S2 MolecularWeight: 466.62484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H14O3S.Ca/c2*1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;/h2*4-7H,1-3H3,(H,11,12,13);/q;;+2/p-2