4-toluenesulfonate

Chemical Formula:

C₇H₇O₃S

Molecular Weight:

171.19 Daltons

Monoisotopic Mass:

172.0194148131 Daltons

SMILES:

CC1(C=CC(=CC=1)S([O-])(=O)=O)

InChI:

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

InChIKey:

JOXIMZWYDAKGHI-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: 4-TOLUENESULFONATE

RefMet: Toluene-4-sulfonic acid

HMDB: HMDB59933

UMBBD-Compounds: c0301

ChemSpider: 77174

ChEBI: 27023

PubChem (CID): 85570 6101

KEGG: C06677

NCI: 167068

CAS: 104-15-4

Seed: cpd04078

MetaNetX: MNXM4847