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TBR : Summary
Code
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TBR
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One-letter code
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X
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Molecule name
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HEXATANTALUM DODECABROMIDE
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Synonyms
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DODECABROMOHEXATANTALUM
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Systematic names
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Not Assigned
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Formula
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Br12 Ta6
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Formal charge
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0
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Molecular weight
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2044.535 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.370 |
Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6 |
Canonical SMILES
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CACTVS |
3.370 |
Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6 |
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IUPAC InChI | InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1 |
IUPAC InChI key | YWYIQTPPCOBSGN-UHFFFAOYSA-M |
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wwPDB Information |
Atom count
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18 (18 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-11-12
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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