7P2

2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid

Created:	2015-05-27
Last modified:	2016-06-01

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1 entries where 7P2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	12

2D diagram of 7P2

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Chemical Component Summary
Name	2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid
Formula	C₁₈ H₂₀ N O₈ P
Molecular Weight	409.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(C(=O)O)ccccc1Nc2c(cc(cc2)OCCCCP(O)(=O)O)C(=O)O
SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2ccc(OCCCC[P](O)(O)=O)cc2C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2ccc(OCCCC[P](O)(O)=O)cc2C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C18H20NO8P/c20-17(21)13-5-1-2-6-15(13)19-16-8-7-12(11-14(16)18(22)23)27-9-3-4-10-28(24,25)26/h1-2,5-8,11,19H,3-4,9-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
InChIKey	InChI	1.03	VJUHVFNGPLDDFZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	119058099

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