BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4,4-DDT

Graphical representations:

4,4-DDT image

Molecular Formula: C14 H9 Cl5

Natural Isotopic Abundance Mass: 354.48626

Mono-Isotopic Molecular Masses:

  • C12N14: 351.9146888389
  • C13N14: 365.9616565681
  • C12N15: 351.9146888389
  • C13N15: 365.9616565681

InCHi String:

canonical and isomeric SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene

PubChem Substance (SID):   111677776   36671931   8144998
PubChem Compound (CID):   3036
KEGG: Compound ID   C04623
CAS Registry IDs:   50-29-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 386340_ALDRICH   ChEBI CHEBI:16130   EPA DSSTox 48884   ChemSpider 15655693   MMCD cq_02674   MDL MFCD00000802

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.