98T

methyl 3-iodanyl-4-oxidanyl-benzoate

Created:	2017-04-28
Last modified:	2021-06-30

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2 entries where 98T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 98T

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Chemical Component Summary
Name	methyl 3-iodanyl-4-oxidanyl-benzoate
Systematic Name (OpenEye OEToolkits)	methyl 3-iodanyl-4-oxidanyl-benzoate
Formula	C₈ H₇ I O₃
Molecular Weight	278.044
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1ccc(O)c(I)c1
SMILES	OpenEye OEToolkits	2.0.6	COC(=O)c1ccc(c(c1)I)O
Canonical SMILES	CACTVS	3.385	COC(=O)c1ccc(O)c(I)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	COC(=O)c1ccc(c(c1)I)O
InChI	InChI	1.03	InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChIKey	InChI	1.03	PXNOLLHARLSLHY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11346465

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