T6Z

[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

Created:	2018-04-17
Last modified:	2019-04-17

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1 entries where T6Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of T6Z

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Chemical Component Summary
Name	[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	(1-methyl-2-oxidanylidene-quinolin-4-yl)methylphosphonic acid
Formula	C₁₁ H₁₂ N O₄ P
Molecular Weight	253.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN2C(C=C(CP(O)(=O)O)c1ccccc12)=O
SMILES	CACTVS	3.385	CN1C(=O)C=C(C[P](O)(O)=O)c2ccccc12
SMILES	OpenEye OEToolkits	2.0.6	CN1c2ccccc2C(=CC1=O)CP(=O)(O)O
Canonical SMILES	CACTVS	3.385	CN1C(=O)C=C(C[P](O)(O)=O)c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1c2ccccc2C(=CC1=O)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C11H12NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKey	InChI	1.03	LOQZOOPJJBKDAA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	130427416

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