OD5

4,4'-sulfonyldi(benzene-1,2-diol)

Created:	2022-04-27
Last modified:	2023-04-12

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1 entries where OD5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of OD5

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Chemical Component Summary
Name	4,4'-sulfonyldi(benzene-1,2-diol)
Systematic Name (OpenEye OEToolkits)	4-[3,4-bis(oxidanyl)phenyl]sulfonylbenzene-1,2-diol
Formula	C₁₂ H₁₀ O₆ S
Molecular Weight	282.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1
SMILES	CACTVS	3.385	Oc1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O
InChI	InChI	1.03	InChI=1S/C12H10O6S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6,13-16H
InChIKey	InChI	1.03	ASVQOVSTAOQGAT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	19914437

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