2I2

pentadecaoxodiphosphopentatungstate

Created:	2021-06-15
Last modified:	2022-06-22

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2 entries where 2I2 is found as a standalone ligand

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Chemical Details
Formal Charge	4
Atom Count	40
Chiral Atom Count	2
Bond Count	48
Aromatic Bond Count	0

2D diagram of 2I2

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Chemical Component Summary
Name	pentadecaoxodiphosphopentatungstate
Formula	H₁₀ O₂₃ P₂ W₅
Molecular Weight	1,359.213
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[W]123(O)O[P]4(=O)[O+]5[W]6(O)(O)(O[P]7(=O)[O+]1[W]8(O)(O)(O2)O[W]9(O)(O)(O[W]5(O)(O)(O6)[O+]79)[O+]48)O3
SMILES	OpenEye OEToolkits	2.0.7	O[W]123(OP4(=O)[O+]5[W]6(O1)(OP7(=O)[O+]2[W]8(O3)([O+]4[W]9(O8)([O+]7[W]5(O6)(O9)(O)O)(O)O)(O)O)(O)O)O
Canonical SMILES	CACTVS	3.385	O[W]123(O)O[P@@]4(=O)[O+]5[W]6(O)(O)(O[P@@]7(=O)[O+]1[W]8(O)(O)(O2)O[W]9(O)(O)(O[W]5(O)(O)(O6)[O+]79)[O+]48)O3
Canonical SMILES	OpenEye OEToolkits	2.0.7	O[W]123(O[P@@]4(=O)[O+]5[W]6(O1)(O[P@@]7(=O)[O+]2[W]8(O3)([O+]4[W]9(O8)([O+]7[W]5(O6)(O9)(O)O)(O)O)(O)O)(O)O)O
InChI	InChI	1.03	InChI=1S/2HO4P.10H2O.5O.5W/c21-5(2,3)4;;;;;;;;;;;;;;;;;;;;/h2(H,1,2);101H2;;;;;;;;;;/q2+2;;;;;;;;;;;;;;;;3+2;2+3/p-12
InChIKey	InChI	1.03	YRVJCESOOVOMAC-UHFFFAOYSA-B

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