F6Z

3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID

Created:	2010-07-30
Last modified:	2024-09-27

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1 entries where F6Z is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	18

2D diagram of F6Z

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Chemical Component Summary
Name	3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	3',6'-dihydroxy-3-oxo-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Formula	C₂₁ H₁₂ O₇
Molecular Weight	376.316
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34
SMILES	CACTVS	3.352	OC(=O)c1ccc2c(c1)C(=O)O[C]23c4ccc(O)cc4Oc5cc(O)ccc35
SMILES	OpenEye OEToolkits	1.6.1	c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O
Canonical SMILES	CACTVS	3.352	OC(=O)c1ccc2c(c1)C(=O)O[C@@]23c4ccc(O)cc4Oc5cc(O)ccc35
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O
InChI	InChI	1.03	InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
InChIKey	InChI	1.03	NJYVEMPWNAYQQN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	123755
ChEBI	CHEBI:51617

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