BSG

4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid

Created:	2010-08-03
Last modified:	2024-09-27

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1 entries where BSG is covalently linked to polymer or other heterogen groups

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

2D diagram of BSG

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Chemical Component Summary
Name	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	4-(dihydroxyboranylmethylsulfamoylmethyl)benzoic acid
Formula	C₉ H₁₂ B N O₆ S
Molecular Weight	273.071
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NCB(O)O)Cc1ccc(cc1)C(=O)O
SMILES	CACTVS	3.370	OB(O)CN[S](=O)(=O)Cc1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O
Canonical SMILES	CACTVS	3.370	OB(O)CN[S](=O)(=O)Cc1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O
InChI	InChI	1.03	InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-7(2-4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
InChIKey	InChI	1.03	XFGLPAZMEWKDFW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49837191
ChEMBL	CHEMBL1231477

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