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toluene-4-sulfonate

MNXM66206 is deprecated and here replaced by MNXM731466
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM731466

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₇H₇O₃S

charge

-1

mass

171.01214

reference

InChIKey

JOXIMZWYDAKGHI-UHFFFAOYSA-M

InChI

InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1

SMILES

Cc1ccc(S(=O)(=O)[O-])cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27023 chebi:27023	toluene-4-sulfonate 4-methylbenzenesulfonate 4-methylbenzenesulfonic acid, ion(1-) 4-toluene sulfonate 4-toluenesulfonate p-toluene sulfonate p-toluenesulfonate tosylate
metacyc.compound:4-TOLUENESULFONATE metacycM:4-TOLUENESULFONATE	4-toluenesulfonate 4-toluenesulphonate p-toluenesulfonate toluene-4-sulfonate
envipath:...2b85c8c02bf5 envipathM:...2b85c8c02bf5	Toluene-4-sulfonate
kegg.compound:C06677 keggC:C06677	Toluene-4-sulfonate Tosylate
seed.compound:cpd04078 seedM:cpd04078	Tosylate 4-toluenesulfonate 4-toluenesulphonate Toluene-4-sulfonate p-toluenesulfonate toluene-4-sulfonate
envipath:...e06db543f6e0 envipathM:...e06db543f6e0	compound 0060003
CHEBI:27849 chebi:27849	toluene-4-sulfonic acid 4-methylbenzenesulfonic acid 4-toluenesulfonic acid PARA-TOLUENE SULFONATE Toluen-4-sulfonsaeure Toluene-4-sulfonate Tosylate p-methylbenzenesulfonic acid p-methylphenylsulfonic acid p-toluenesulfonic acid p-toluenesulphonic acid p-tolylsulfonic acid tosic acid tosylic acid
chebi:46028 chebi:9625 keggC:M_C06677 seedM:M_cpd04078	secondary/obsolete/fantasy identifier