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azanium (4-methylphenyl)methanesulfonate

azanium (4-methylphenyl)methanesulfonate

Systemtic Name:azanium (4-methylphenyl)methanesulfonate
Openeye Name:ammonium p-tolylmethanesulfonate
CAS Name:ammonium (4-methylphenyl)methanesulfonate
IUPAC Name:azanium (4-methylphenyl)methanesulfonate
Traditional Name:ammonium p-tolylmethanesulfonate
Formula: C8H13NO3S
MolecularWeight: 203.25872
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)[O-].[NH4+]


Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)[O-].[NH4+]


InChI

InChI=1S/C8H10O3S.H3N/c1-7-2-4-8(5-3-7)6-12(9,10)11;/h2-5H,6H2,1H3,(H,9,10,11);1H3


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