PDB Chemical Component PHH

Ideal Model

Chemical Description

Name 4,5,6,7-TETRACHLORO-PHTHALIDE
Synonyms 4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE
Formula C8 H2 Cl4 O2
Formal charge 0
Molecular weight 271.912 g/mol
Component type NON-POLYMER

Chemical features

Atom count 16
Chiral atom count 0
Bond count 17
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) 4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
Systematic name (OpenEye OEToolkits) 4,5,6,7-tetrachloro-3H-2-benzofuran-1-one

Chemical Descriptors

Stereo SMILES (CACTVS) Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl
SMILES (CACTVS) Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl
Stereo SMILES (OpenEye) C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1
InChI descriptor InChI=1/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
InChIKey descriptor NMWKWBPNKPGATC-UHFFFAOYAH

Status Information

Last modified 2008-10-14
Created 2000-10-25
Release status REL
Model PDB code 1G0N
Processing site EBI