calcium sodium (4-methylphenyl)methanesulfonate

Systemtic Name: calcium sodium (4-methylphenyl)methanesulfonate Openeye Name: calcium sodium p-tolylmethanesulfonate CAS Name: calcium sodium (4-methylphenyl)methanesulfonate IUPAC Name: calcium sodium (4-methylphenyl)methanesulfonate Traditional Name: calcium sodium p-tolylmethanesulfonate Formula: C8H9CaNaO3S+2 MolecularWeight: 248.28803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3S.Ca.Na/c1-7-2-4-8(5-3-7)6-12(9,10)11;;/h2-5H,6H2,1H3,(H,9,10,11);;/q;+2;+1/p-1