7P1

2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid

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

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1 entries where 7P1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	12

2D diagram of 7P1

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Chemical Component Summary
Name	2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid
Formula	C₁₇ H₁₈ N O₈ P
Molecular Weight	395.3
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(C(=O)O)ccccc1Nc2c(cc(cc2)OCCCP(O)(=O)O)C(=O)O
SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2ccc(OCCC[P](O)(O)=O)cc2C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccccc1Nc2ccc(OCCC[P](O)(O)=O)cc2C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C17H18NO8P/c19-16(20)12-4-1-2-5-14(12)18-15-7-6-11(10-13(15)17(21)22)26-8-3-9-27(23,24)25/h1-2,4-7,10,18H,3,8-9H2,(H,19,20)(H,21,22)(H2,23,24,25)
InChIKey	InChI	1.03	NQOSCSDORDCLER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	119058098

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