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Disodium Anthraquinone-2,6-disulfonate

Catalog Number
ACM853689
CAS
853-68-9
IUPAC Name
disodium;9,10-dioxoanthracene-2,6-disulfonate
Synonyms
Anthraquinone-2,6-disulfonic Acid Disodium Salt
Molecular Weight
412.29
Molecular Formula
C14H6Na2O8S2
Product Information
Canonical SMILES
C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C14H8O8S2.2Na/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);;/q;2*+1/p-2
InChI Key
PKOVWEHDVFYKHL-UHFFFAOYSA-L
Purity
>98.0%(T)(HPLC)
Appearance
White to Yellow to Orange powder to crystal
Complexity
665
Exact Mass
411.929948g/mol
Heavy Atom Count
26
MDL Number
MFCD00001230
Monoisotopic Mass
411.929948g/mol
Reaxys Registry Number
3582949
Rotatable Bond Count
0
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