32Y

6-amino-5-iodo-2H-chromen-2-one

Created:	2014-06-04
Last modified:	2014-10-15

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1 entries where 32Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of 32Y

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Chemical Component Summary
Name	6-amino-5-iodo-2H-chromen-2-one
Systematic Name (OpenEye OEToolkits)	6-azanyl-5-iodanyl-chromen-2-one
Formula	C₉ H₆ I N O₂
Molecular Weight	287.054
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Ic2c(ccc1OC(=O)C=Cc12)N
SMILES	CACTVS	3.385	Nc1ccc2OC(=O)C=Cc2c1I
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1N)I)C=CC(=O)O2
Canonical SMILES	CACTVS	3.385	Nc1ccc2OC(=O)C=Cc2c1I
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1N)I)C=CC(=O)O2
InChI	InChI	1.03	InChI=1S/C9H6INO2/c10-9-5-1-4-8(12)13-7(5)3-2-6(9)11/h1-4H,11H2
InChIKey	InChI	1.03	WWRAFPGUBABZSD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72356

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