84Z

methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate

Created:	2021-10-01
Last modified:	2022-08-22

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3 entries where 84Z is found as a standalone ligand1 entries where 84Z is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of 84Z

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Chemical Component Summary
Name	methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate
Systematic Name (OpenEye OEToolkits)	methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate
Formula	C₁₄ H₁₂ Cl N O₆ S₂
Molecular Weight	389.831
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N
InChI	InChI	1.06	InChI=1S/C14H12ClNO6S2/c1-22-14(17)10-7-13(24(16,20)21)11(15)8-12(10)23(18,19)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,20,21)
InChIKey	InChI	1.06	IGXGTYUIRLTUTM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126508404

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