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Acid Orange 156

CAT: 0024-sc-493141Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-493141Size:1 g
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CAS Number
68555-86-2

Chemical Information

Benzenesulfonic acid, 4-(2-(5-methoxy-4-(2-(4-methoxyphenyl)diazenyl)-2-methylphenyl)diazenyl)-, sodium salt (1:1)
CAS Number68555-86-2
PubChem CID23703979
IUPAC Namesodium 4-[[5-methoxy-4-[(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]benzenesulfonate
Molecular FormulaC21H19N4NaO5S
Molecular Weight462.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity716
SMILES
CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC.[Na+]
InChI
InChI=1S/C21H20N4O5S.Na/c1-14-12-20(25-23-15-4-8-17(29-2)9-5-15)21(30-3)13-19(14)24-22-16-6-10-18(11-7-16)31(26,27)28;/h4-13H,1-3H3,(H,26,27,28);/q;+1/p-1
InChIKey
DBSJKTVELUTRJM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzenesulfonic acid, 4-(2-(5-methoxy-4-(2-(4-methoxyphenyl)diazenyl)-2-methylphenyl)diazenyl)-, sodium salt (1:1)
CAS: 68555-86-2
CID: 23703979
Formula: C21H19N4NaO5S
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass462.09738517
Monoisotopic Mass462.09738517
Topological Polar Surface Area133 Ų
Heavy Atom Count32
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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