QV8

9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid

Created:	2011-03-04
Last modified:	2021-03-01

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1 entries where QV8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	18

2D diagram of QV8

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Chemical Component Summary
Name	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
Synonyms	Acid blue 25
Systematic Name (OpenEye OEToolkits)	9,10-dioxo-4-phenylazanyl-anthracene-2-sulfonic acid
Formula	C₂₀ H₁₃ N O₅ S
Molecular Weight	379.386
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4
SMILES	CACTVS	3.370	O[S](=O)(=O)c1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O
Canonical SMILES	CACTVS	3.370	O[S](=O)(=O)c1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26)
InChIKey	InChI	1.03	AAKZMFOUEBXRTE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53245705

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