ZQT

9H-xanthene-1,3,6,8-tetrol

Created:	2023-07-03
Last modified:	2024-07-17

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1 entries where ZQT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of ZQT

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Chemical Component Summary
Name	9H-xanthene-1,3,6,8-tetrol
Systematic Name (OpenEye OEToolkits)	9~{H}-xanthene-1,3,6,8-tetrol
Formula	C₁₃ H₁₀ O₅
Molecular Weight	246.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21
SMILES	CACTVS	3.385	Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1c(cc2c(c1O)Cc3c(cc(cc3O2)O)O)O
Canonical SMILES	CACTVS	3.385	Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(cc2c(c1O)Cc3c(cc(cc3O2)O)O)O
InChI	InChI	1.06	InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2
InChIKey	InChI	1.06	WRWDLBILCDUPOS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	336323

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