7P3

2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid

Created:	2015-05-29
Last modified:	2016-05-25

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1 entries where 7P3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	12

2D diagram of 7P3

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Chemical Component Summary
Name	2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(2-carboxyphenyl)amino]-5-(5-phosphonopentoxy)benzoic acid
Formula	C₁₉ H₂₂ N O₈ P
Molecular Weight	423.354
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(C(=O)O)ccccc1Nc2c(cc(cc2)OCCCCCP(O)(O)=O)C(=O)O
SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2ccc(OCCCCC[P](O)(O)=O)cc2C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2ccc(OCCCCC[P](O)(O)=O)cc2C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C19H22NO8P/c21-18(22)14-6-2-3-7-16(14)20-17-9-8-13(12-15(17)19(23)24)28-10-4-1-5-11-29(25,26)27/h2-3,6-9,12,20H,1,4-5,10-11H2,(H,21,22)(H,23,24)(H2,25,26,27)
InChIKey	InChI	1.03	HYMLLKWKTLKWNS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	119057447

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