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Carmoisine

CAT: 0607-C8314-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-C8314-1000Size:1 g
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CAS Number
3567-69-9
Form
A solid
Molecular Formula
C20H12N2Na2O7S2
Molecular Weight
502.43
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

Chemical Information

Azorubine

Carmoisine is an organic molecular entity.

CAS Number3567-69-9
PubChem CID19118
IUPAC Namedisodium;4-hydroxy-3-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
Molecular FormulaC20H12N2Na2O7S2
Molecular Weight502.4
Topological Polar Surface Area176
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity854
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChIKey
YSVBPNGJESBVRM-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Azorubine
CAS: 3567-69-9
CID: 19118
Formula: C20H12N2Na2O7S2
MW: 502.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass501.98813164
Monoisotopic Mass501.98813164
Topological Polar Surface Area176 Ų
Heavy Atom Count33
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19166228-01Carmoisine
HY-128448R-01Carmoisine (Standard)
51-600Azorubine (carmoisine) Allergen
C05530Carmoisine A C.I. No. 14720
RRBD34-WCarmoisine >85% C.I. 16185
69500100Carmoisine A 50% Dye Content Extrapure
103190 25Carmoisine A dye content Extra Pure
103180 25Carmoisine A (Chromotrope FB) (C.I. 14720)
00695 00100Carmoisine A 50% Dye Content Extra Pure

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