EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:30898 - naphthalene-2,7-disulfonic acid

ChEBI IDCHEBI:30898
ChEBI Namenaphthalene-2,7-disulfonic acid
Stars
DefinitionA naphthalenesulfonic acid in which the sulfo groups are attached to positions 2 and 7 of the naphthalene ring.
Last Modified10 November 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H8O6S2
Net Charge0
Average Mass288.302
Monoisotopic Mass287.97623
SMILESO=S(=O)(O)c1ccc2ccc(S(=O)(=O)O)cc2c1
InChIInChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKeyVILFVXYKHXVYAB-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-2,7-disulfonic acid (CHEBI:30898) has role environmental contaminant (CHEBI:78298)
naphthalene-2,7-disulfonic acid (CHEBI:30898) has role xenobiotic (CHEBI:35703)
naphthalene-2,7-disulfonic acid (CHEBI:30898) is a naphthalenesulfonic acid (CHEBI:36336)
IUPAC Name 
naphthalene-2,7-disulfonic acid
Synonyms  Source
2,7-naphthalenedisulfonic acidChemIDplus
naphthalene-2,7-disulphonic acidChemIDplus
Ebert-Merz α-acidChEBI
Registry NumbersSources
Reaxys:2221087Reaxys
CAS:92-41-1ChemIDplus