ERF

phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid

Created:	2019-08-16
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	10

2D diagram of ERF

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Chemical Component Summary
Name	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
Systematic Name (OpenEye OEToolkits)	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
Formula	C₇ H₉ B N₃ O₅ P S
Molecular Weight	289.013
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.7	B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15)
InChIKey	InChI	1.03	CSAHOMHDQOWLFN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146672920

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