59Y

8-(naphthalen-1-yl)quinoline-2-carboxylic acid

Created:	2015-08-28
Last modified:	2015-09-30

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1 entries where 59Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	22

2D diagram of 59Y

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Chemical Component Summary
Name	8-(naphthalen-1-yl)quinoline-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	8-naphthalen-1-ylquinoline-2-carboxylic acid
Formula	C₂₀ H₁₃ N O₂
Molecular Weight	299.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cccc2ccc(nc12)C(=O)O)c4c3c(cccc3)ccc4
SMILES	CACTVS	3.385	OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O
InChI	InChI	1.03	InChI=1S/C20H13NO2/c22-20(23)18-12-11-14-7-4-10-17(19(14)21-18)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H,(H,22,23)
InChIKey	InChI	1.03	QMAYJELNBDAEMC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44207265

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