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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name naphthalene-2,7-disulfonic acid
ChEBI ID CHEBI:30898
Definition A naphthalenesulfonic acid in which the sulfo groups are attached to positions 2 and 7 of the naphthalene ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H8O6S2
Net Charge 0
Average Mass 288.29892
Monoisotopic Mass 287.97623
InChI InChI=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)
InChIKey VILFVXYKHXVYAB-UHFFFAOYSA-N
SMILES OS(=O)(=O)c1ccc2ccc(cc2c1)S(O)(=O)=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2,7-naphthalenedisulfonic acid ChemIDplus
Ebert-Merz α-acid ChEBI
naphthalene-2,7-disulphonic acid ChemIDplus
Registry Numbers Types Sources
2221087 Beilstein Registry Number Beilstein
2221087 Reaxys Registry Number Reaxys
92-41-1 CAS Registry Number ChemIDplus
Last Modified
10 November 2014