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Chicago Sky Blue 6B

CAT: 0024-sc-361146ASize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-361146ASize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2610-05-1

Chemical Information

Chicago Sky Blue 6B

See also: Direct Blue 1 (annotation moved to).

CAS Number2610-05-1
PubChem CID17460
IUPAC Nametetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
Molecular FormulaC34H24N6Na4O16S4
Molecular Weight992.8
Topological Polar Surface Area423
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count22
Rotatable Bond Count7
Heavy Atom Count64
Formal Charge0
Complexity1830
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey
BPHHNXJPFPEJOF-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Chicago Sky Blue 6B
CAS: 2610-05-1
CID: 17460
Formula: C34H24N6Na4O16S4
MW: 992.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight992.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count22
Rotatable Bond Count7
Exact Mass991.9722405
Monoisotopic Mass991.9722405
Topological Polar Surface Area423 Ų
Heavy Atom Count64
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
444294-01Chicago Sky Blue 6B
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AA-33-01Insulin Chicago, human
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