4SX

3,4-dihydroxybenzenesulfonic acid

Created:	2015-04-07
Last modified:	2015-08-26

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4 entries where 4SX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 4SX

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Chemical Component Summary
Name	3,4-dihydroxybenzenesulfonic acid
Systematic Name (OpenEye OEToolkits)	3,4-bis(oxidanyl)benzenesulfonic acid
Formula	C₆ H₆ O₅ S
Molecular Weight	190.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(c1cc(c(cc1)O)O)(O)=O
SMILES	CACTVS	3.385	Oc1ccc(cc1O)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1S(=O)(=O)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1O)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1S(=O)(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKey	InChI	1.03	LTPDITOEDOAWRU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	189003
ChEBI	CHEBI:27758

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