EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:44229 - naphthalene-2-sulfonic acid

ChEBI IDCHEBI:44229
ChEBI Namenaphthalene-2-sulfonic acid
Stars
DefinitionA naphthalenesulfonic acid in which the sulfo group is linked to position 2 of the naphthalene ring.
Secondary ChEBI IDsCHEBI:30894, CHEBI:44225
Last Modified10 November 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H8O3S
Net Charge0
Average Mass208.238
Monoisotopic Mass208.01942
SMILESO=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
InChIKeyKVBGVZZKJNLNJU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
naphthalene-2-sulfonic acid (CHEBI:44229) has role environmental contaminant (CHEBI:78298)
naphthalene-2-sulfonic acid (CHEBI:44229) has role xenobiotic (CHEBI:35703)
naphthalene-2-sulfonic acid (CHEBI:44229) is a naphthalenesulfonic acid (CHEBI:36336)
IUPAC Name 
naphthalene-2-sulfonic acid
Synonyms  Source
2-naphthalenesulfonic acidChemIDplus
β-naphthalenesulfonic acidChemIDplus
β-naphthylsulfonic acidChemIDplus
naphthalene-2-sulphonic acidChemIDplus
2-NAPHTHALENESULFONIC ACIDPDBeChem
Naphthalene-2-sulfonateKEGG COMPOUND
Manual XrefsDatabases
NASPDBeChem
DB08254DrugBank
C16202KEGG COMPOUND
Registry NumbersSources
Beilstein:1955756Beilstein
Gmelin:83920Gmelin
Reaxys:1955756Reaxys
CAS:120-18-3ChemIDplus
CAS:120-18-3KEGG COMPOUND
Citations