PDB Chemical Component RU7

Experimental Model

Chemical Description

Name PARA-CYMENE RUTHENIUM CHLORIDE
Formula C10 H14 Cl2 Ru
Formal charge 0
Molecular weight 306.194 g/mol
Component type NON-POLYMER
Ambiguous Chemistry Warning The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical features

Atom count 27
Chiral atom count 0
Bond count 32
Aromatic bond count 0

Chemical Identifiers

Systematic name (OpenEye/Lexichem) dichlororuthenium; 1-methyl-4-[(2R)-propan-2-yl]benzene

Chemical Descriptors

Stereo SMILES (CACTVS) CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
SMILES (CACTVS) CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
Stereo SMILES (OpenEye) CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
InChI descriptor InChI=1/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2/fC10H14.2Cl.Ru/h;2*1h;/q;2*-1;m/rC10H14Cl2Ru/c1-4(2)10-7-5-9(3)6-8(10)13(5,6,7,9,10,11)12/h4-8H,1-3H3
InChIKey descriptor UCXDWSTYBSBFFB-RNLNJCAXCV

Status Information

Last modified 2008-10-14
Created 2005-05-13
Release status REL
Processing site RCSB