bmse000634 4,4-DDT at BMRB

4,4-DDT

1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethane

1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene

dichlorodiphenyltrichloroethane

1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane

4,4'-DDT

4,4-DDT

clofenotane

alpha,alpha-bis(p-chlorophenyl)-beta,beta,beta-trichlorethane

DDT

p,p'-dichlorodiphenyltrichloroethane

1,1-bis(4-chlorophenyl)-2,2,2-trichloroethane

InCHi String:
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

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.