RD1

{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)

Created:	2016-10-13
Last modified:	2017-10-25

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1 entries where RD1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	11

2D diagram of RD1

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Chemical Component Summary
Name	{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
Systematic Name (OpenEye OEToolkits)	[phosphono-(6-phosphonooxynaphthalen-2-yl)methyl]phosphonic acid
Formula	C₁₁ H₁₃ O₁₀ P₃
Molecular Weight	398.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cc2c1cc(cc2)C(P(O)(=O)O)P(O)(=O)O)OP(=O)(O)O
SMILES	CACTVS	3.385	O[P](O)(=O)Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.385	O[P](O)(=O)Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C11H13O10P3/c12-22(13,14)11(23(15,16)17)9-2-1-8-6-10(21-24(18,19)20)4-3-7(8)5-9/h1-6,11H,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey	InChI	1.03	FARIWUCMYLLPRF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131704440
ChEMBL	CHEMBL4300344

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