A1IEO

methyl 4-chloranyl-3-sulfamoyl-benzoate

Created:	2024-06-13
Last modified:	2025-06-25

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1 entries where A1IEO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of A1IEO

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Chemical Component Summary
Name	methyl 4-chloranyl-3-sulfamoyl-benzoate
Systematic Name (OpenEye OEToolkits)	methyl 4-chloranyl-3-sulfamoyl-benzoate
Formula	C₈ H₈ Cl N O₄ S
Molecular Weight	249.671
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl
Canonical SMILES	CACTVS	3.385	COC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl
InChI	InChI	1.06	InChI=1S/C8H8ClNO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13)
InChIKey	InChI	1.06	IPQHNKPCTMMTLI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4277179

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