EOZ

3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID

Created:	2006-02-17
Last modified:	2011-06-04

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1 entries where EOZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	6

2D diagram of EOZ

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Chemical Component Summary
Name	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID
Systematic Name (OpenEye OEToolkits)	3,5-bis(2-phosphonoethanoylamino)benzoic acid
Formula	C₁₁ H₁₄ N₂ O₁₀ P₂
Molecular Weight	396.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1cc(cc(c1)NC(=O)CP(=O)(O)O)C(=O)O)CP(=O)(O)O
SMILES	CACTVS	3.341	OC(=O)c1cc(NC(=O)C[P](O)(O)=O)cc(NC(=O)C[P](O)(O)=O)c1
SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1cc(NC(=O)C[P](O)(O)=O)cc(NC(=O)C[P](O)(O)=O)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C11H14N2O10P2/c14-9(4-24(18,19)20)12-7-1-6(11(16)17)2-8(3-7)13-10(15)5-25(21,22)23/h1-3H,4-5H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)
InChIKey	InChI	1.03	LGLZCZRWQTWLGU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9547938

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