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Fuchsin acid

CAT: 0063-16313560-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0063-16313560-25gSize:25 g
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CAS Number
3244-88-0
Molecular Formula
C20H20N2O9S3
Molecular Weight
585.53
Formulation
C20H20N2O9S3

Chemical Information

Acid violet 19

See also: Acid Fuchsin (annotation moved to); acid fuchsin, sodium salt (annotation moved to); Acid fuchsine FB (annotation moved to) ... View More ...

CAS Number3244-88-0
PubChem CID16219374
IUPAC Namedisodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate
Molecular FormulaC20H17N3Na2O9S3
Molecular Weight585.5
Topological Polar Surface Area270
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1270
SMILES
CC1=C/C(=C(\C2=CC(=C(C=C2)N)S(=O)(=O)O)/C3=CC(=C(C=C3)N)S(=O)(=O)[O-])/C=C(C1=N)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChIKey
WZRZTHMJPHPAMU-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Acid violet 19
CAS: 3244-88-0
CID: 16219374
Formula: C20H17N3Na2O9S3
MW: 585.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass584.99223121
Monoisotopic Mass584.99223121
Topological Polar Surface Area270 Ų
Heavy Atom Count37
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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