EOB

{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)

Created:	2006-02-17
Last modified:	2021-03-13

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1 entries where EOB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of EOB

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Chemical Component Summary
Name	{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)
Synonyms	2,2'-(1,3-PHENYLENEBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID
Systematic Name (OpenEye OEToolkits)	[2-oxo-2-[[3-(2-phosphonoethanoylamino)phenyl]amino]ethyl]phosphonic acid
Formula	C₁₀ H₁₄ N₂ O₈ P₂
Molecular Weight	352.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1cccc(c1)NC(=O)CP(=O)(O)O)CP(=O)(O)O
SMILES	CACTVS	3.341	O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20)
InChIKey	InChI	1.03	BHGKTXYPXMTFLT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9547937

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