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RRE : Summary

Code

RRE

One-letter code

X

Molecule name

fac-tricarbonyl-triaqua rhenium(I)

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 tris($l^{1}-oxidanyl)-tris(oxidanylidenemethyl)rhenium(1+)

Formula

C3 O6 Re

Formal charge

1

Molecular weight

318.236 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O.O.O.[Re+].C=O.C=O.C=O
SMILES OpenEye OEToolkits 2.0.7 [C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]
Canonical SMILES CACTVS 3.385 O.O.O.[Re+].C=O.C=O.C=O
Canonical SMILES OpenEye OEToolkits 2.0.7 [C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]

IUPAC InChI

InChI=1S/3CHO.3H2O.Re/c3*1-2;;;;/h3*1H;3*1H2;/q;;;;;;+4/p-3

IUPAC InChI key

LTJPXUNQIJYHLE-UHFFFAOYSA-K
RRE

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-10

Last modified at

2019-06-14

Status

Released

Obsoleted

Not Assigned