calcium (4-methylphenyl)methanesulfonate

Systemtic Name: calcium (4-methylphenyl)methanesulfonate Openeye Name: calcium p-tolylmethanesulfonate CAS Name: calcium (4-methylphenyl)methanesulfonate IUPAC Name: calcium (4-methylphenyl)methanesulfonate Traditional Name: calcium p-tolylmethanesulfonate Formula: C16H18CaO6S2 MolecularWeight: 410.51852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H10O3S.Ca/c2*1-7-2-4-8(5-3-7)6-12(9,10)11;/h2*2-5H,6H2,1H3,(H,9,10,11);/q;;+2/p-2