0HO

2,1,3-benzothiadiazole-5-carboxylic acid

Created:	2012-01-19
Last modified:	2013-02-08

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1 entries where 0HO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

2D diagram of 0HO

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Chemical Component Summary
Name	2,1,3-benzothiadiazole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2,1,3-benzothiadiazole-5-carboxylic acid
Formula	C₇ H₄ N₂ O₂ S
Molecular Weight	180.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1ccc2nsnc2c1
SMILES	CACTVS	3.370	OC(=O)c1ccc2nsnc2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1C(=O)O)nsn2
Canonical SMILES	CACTVS	3.370	OC(=O)c1ccc2nsnc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1C(=O)O)nsn2
InChI	InChI	1.03	InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)
InChIKey	InChI	1.03	YHMXJZVGBCACMT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	602011

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