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Hydroxy naphthol blue disodium

CAT: 0926-FH52652-01Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-FH52652-01Size:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
165660-27-5
MDL Number
MFCD00004075
Smiles
C1=CC=C2C (=C1) C (=CC (=C2N=NC3=C4C=CC (=CC4=CC (=C3O) S (=O) (=O) [O-]) S (=O) (=O) O) O) S (=O) (=O) [O-].[Na+].[Na+]
Molecular Formula
C20H14N2O11S3·2Na
Molecular Weight
600.51 g/mol
Controlled
No

Chemical Information

Hydroxy naphthol blue disodium salt
CAS Number165660-27-5
PubChem CID135889525
IUPAC Namedisodium;3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonaphthalene-2-sulfonate
Molecular FormulaC20H12N2Na2O11S3
Molecular Weight598.5
Topological Polar Surface Area259
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity1130
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)O)O)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C20H14N2O11S3.2Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChIKey
WPDDXLRAJOPBIR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Hydroxy naphthol blue disodium salt
CAS: 165660-27-5
CID: 135889525
Formula: C20H12N2Na2O11S3
MW: 598.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Exact Mass597.93986129
Monoisotopic Mass597.93986129
Topological Polar Surface Area259 Ų
Heavy Atom Count38
Formal Charge0
Complexity1130
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

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T82147-01Hydroxy naphthol blue disodium
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