ISDA: 6TVK

Structural Complex

Chemical ID: TBR

IUPAC Name: HEXATANTALUM DODECABROMIDE

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Br12 Ta6

Molecular weight: 2044.535

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 12

Heavy Atoms: 18

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.02	InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1
InChIKey	InChI	1.02	YWYIQTPPCOBSGN-UHFFFAOYSA-M
SMILES_CANONICAL	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	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_CANONICAL	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
SMILES	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