sinapaldehyde

• sinapaldehyde
• bmse000606 - data
• bmse010085 - data

InCHi String:
InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+

canonical SMILES:
COC1=CC(=CC(=C1O)OC)C=CC=O
isomeric SMILES:
COC1=CC(=CC(=C1O)OC)/C=C/C=O


PUBCHEM iupac NAME
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal

PUBCHEM iupac TRADITIONAL NAME
(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal

PUBCHEM iupac CAS NAME
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal



PubChem Substance (SID):   85165374   10537235   39289825
PubChem Compound (CID):   5280802
KEGG: Compound ID   C05610
CAS Registry IDs:   4206-58-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:27949   ChemSpider 4444359   NIST Chemistry WebBook 647569892   MMCD cq_03148