Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

118 : Summary

Code

118

One-letter code

X

Molecule name

TETRAPHENYLANTIMONIUM ION

Systematic names

ProgramVersionName
ACDLabs 10.04 tetraphenylstibonium
OpenEye OEToolkits 1.5.0 tetraphenylstibanium

Formula

C24 H20 Sb

Formal charge

1

Molecular weight

430.176 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1c(cccc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILES CACTVS 3.341 c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4
Canonical SMILES CACTVS 3.341 c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4

IUPAC InChI

InChI=1S/4C6H5.Sb/c4*1-2-4-6-5-3-1;/h4*1-5H;/q;;;;+1

IUPAC InChI key

SZOUUWBVOLRGQM-UHFFFAOYSA-N
118

wwPDB Information

Atom count

45 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-05-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned