calcium 4-methylbenzenesulfonate

Systemtic Name: calcium 4-methylbenzenesulfonate Openeye Name: calcium 4-methylbenzenesulfonate CAS Name: calcium 4-methylbenzenesulfonate IUPAC Name: calcium 4-methylbenzenesulfonate Traditional Name: calcium ditosylate Formula: C14H14CaO6S2 MolecularWeight: 382.46536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S.Ca/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2