sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate


Chemical Name: sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulfonate
CAS Number: 20262-76-4
Product Number: AG0028C2(AGN-PC-0MVMUV)
Synonyms:
MDL No:
Molecular Formula: C27H31N2NaO7S2
Molecular Weight: 582.6640

Identification/Properties


Computed Properties
Molecular Weight:
582.662g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
582.147g/mol
Monoisotopic Mass:
582.147g/mol
Topological Polar Surface Area:
158A^2
Heavy Atom Count:
39
Formal Charge:
0
Complexity:
1070
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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