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[1. USAN-approved contraction for p-toluenesulfonate.
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pre_formula( "InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1/fC7H7O3S/q-1", "jqp049/85570.html" ); ?>
Molecular Formula:
C7H7O3S-
InChI: InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1/fC7H7O3S/q-1
InChIKey: InChIKey=JOXIMZWYDAKGHI-FDYDUMIUCR
SMILES: Cc1ccc(cc1)S([O-])(=O)=O
CAS number 16722-51-3
Names:
p-toluenesulfonate
p-toluene sulfonate
toluene-4-sulfonate
tosylate
4-methylbenzenesulfonate
4-methylbenzenesulfonic acid, ion(1−)
4-toluenesulfonate
4-toluene sulfonate
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Registries:
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PubChem CID 85570
Beilstein =1569490
CAS 16722-51-3 (from NIST)
ChEBI 27023
Gmelin 327129
PubChem ID 11648565
UM-BBD c0301
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