AQN

9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Created:	2011-10-20
Last modified:	2011-10-20

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3 entries where AQN 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 AQN

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Chemical Component Summary
Name	9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Systematic Name (OpenEye OEToolkits)	9,10-bis(oxidanylidene)anthracene-2-sulfonic acid
Formula	C₁₄ H₈ O₅ S
Molecular Weight	288.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3
SMILES	CACTVS	3.370	O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
SMILES	OpenEye OEToolkits	1.7.2	c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
Canonical SMILES	CACTVS	3.370	O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)
InChIKey	InChI	1.03	MMNWSHJJPDXKCH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8552
ChEMBL	CHEMBL3305895
CCDC/CSD	SOTWAA, IPIFES, HAPXIF, IPIFIW, FATMUJ, OKERON

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.