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ENH : Summary

Code

ENH

One-letter code

X

Molecule name

1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3aR,4S,7R,7aS)-4,5,6,7,8,8-hexachloro-2-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Formula

C10 H5 Cl6 N O2

Formal charge

0

Molecular weight

383.87 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 ClC1=C(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C2C(=O)N(C(=O)C23)C
SMILES CACTVS 3.341 CN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
SMILES OpenEye OEToolkits 1.5.0 CN1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
Canonical SMILES CACTVS 3.341 CN1C(=O)[C@@H]2[C@H](C1=O)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl
Canonical SMILES OpenEye OEToolkits 1.5.0 CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

IUPAC InChI

InChI=1S/C10H5Cl6NO2/c1-17-6(18)2-3(7(17)19)9(14)5(12)4(11)8(2,13)10(9,15)16/h2-3H,1H3/t2-,3+,8+,9-

IUPAC InChI key

DKILHSLDAKXHHE-ASQNABRVSA-N
ENH

wwPDB Information

Atom count

24 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned