InCHi String:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
canonical SMILES: CCCC=CC=O
isomeric SMILES: CCC\C=C\C=O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME(E)-hex-2-enal
PubChem Substance (SID):
85165317 10690 39290071PubChem Compound (CID):
5281168KEGG: Compound ID
C08497CAS Registry IDs: 505-57-7 6728-26-3
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich 132659_ALDRICH
EPA DSSTox 21609
LipidMAPS LMFA06000002
ZINC ZINC01531148
ChemIDplus 006728263
ChemSpider 4444608
EINECS 229-778-1
CCRIS 4565
Beilstein Handbook Reference 4-01-00-03468
Comparative Toxicogenomics Database C051750
NIST Chemistry WebBook 147808639
MMCD cq_05183
MDL MFCD00007008
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
