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benzene (CHEBI:16716)

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ChEBI Name benzene
ChEBI ID CHEBI:16716
Definition A six-carbon aromatic compound in which each carbon atom donates one of its two 2p electrons into a delocalised π system.
Last Modified 19 November 2009
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13876, CHEBI:22703, CHEBI:3025, CHEBI:41187, CHEBI:116832

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InChI
InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey
InChIKey=UHOVQNZJYSORNB-UHFFFAOYAH
SMILES
c1ccccc1
Formula Source
C6H6 KEGG COMPOUND
Charge 0
Mass 78.11184
ChEBI Ontology
Tree view
Outgoing benzene (CHEBI:16716) has role non-polar solvent (CHEBI:48355)
benzene (CHEBI:16716) is a aromatic annulene (CHEBI:33842)
benzene (CHEBI:16716) is a benzenes (CHEBI:22712)
Incoming 1,2-phenylenediamine (CHEBI:34043) has parent hydride benzene (CHEBI:16716)
nitrosobenzene (CHEBI:27986) has functional parent benzene (CHEBI:16716)
fluorobenzene (CHEBI:35496) has parent hydride benzene (CHEBI:16716)
alkylbenzene (CHEBI:38976) has parent hydride benzene (CHEBI:16716)
IUPAC Name
benzene
Synonyms Sources
[6]annulene NIST Chemistry WebBook
Benzen IUPAC
BENZENE MSDchem
Benzene KEGG COMPOUND
benzene IntEnz
benzène ChEBI
Benzine UM-BBD
Benzol ChemIDplus
benzole NIST Chemistry WebBook
cyclohexatriene UM-BBD
phenyl hydride UM-BBD
Database Links Databases
BNZ MSDchem
C01407 KEGG COMPOUND
c0142 UM-BBD
116832 ChEMBL
Registry Numbers Types Sources
1671 Gmelin Registry Number Gmelin
71-43-2 CAS Registry Number KEGG COMPOUND
71-43-2 CAS Registry Number NIST Chemistry WebBook
71-43-2 CAS Registry Number ChemIDplus
969212 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10866370 PubMed citation ChEMBL
11684179 PubMed citation CiteXplore
15857133 PubMed citation ChEMBL
15916423 PubMed citation ChEMBL
2033592 PubMed citation ChEMBL
2993621 PubMed citation ChEMBL
6167716 PubMed citation ChEMBL
8941388 PubMed citation ChEMBL

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