11H

9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid

Created:	2012-09-28
Last modified:	2012-12-21

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2 entries where 11H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of 11H

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Chemical Component Summary
Name	9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
Systematic Name (OpenEye OEToolkits)	9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid
Formula	C₁₄ H₈ O₈ S₂
Molecular Weight	368.339
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(O)c3ccc2C(=O)c1c(ccc(c1)S(=O)(=O)O)C(=O)c2c3
SMILES	CACTVS	3.370	O[S](=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
Canonical SMILES	CACTVS	3.370	O[S](=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)
InChIKey	InChI	1.03	MSSUFHMGCXOVBZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66534
ChEMBL	CHEMBL3747842
ChEBI	CHEBI:85115
CCDC/CSD	REZFEI, VUKBEJ, VIHLOP, LUPBUT, HAKDEE, WERNOX, RAHZIL
COD	2212467, 7103918, 7113531

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