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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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1,1'-(2,2-dichloroethane-1,1-diyl)bis(4-chlorobenzene); 1,1'-(2,2-dichloroethylidene)bis[4-chlorobenzene]; 1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane; 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane; 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane; 1,1-dichloro-2,2-bis(p-chlorophenyl)ethane; 4,4'-DDD; Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro-; DDD; Dichlorodiphenyldichloroethane; Dilene
Molecular Formula: C14 H10 Cl4
Natural Isotopic Abundance Mass: 320.0412
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
canonical and isomeric SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
PUBCHEM iupac CAS NAME: PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac TRADITIONAL NAME
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
PUBCHEM iupac SYSTEMATIC NAME
1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethyl]-4-chloranyl-benzene
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773