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Acid Yellow 65

CAT: 0024-sc-291831ASize: 50 gDry Ice: NoHazardous: No
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CAT#:0024-sc-291831ASize:50 g
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CAS Number
6408-90-8

Chemical Information

benzenesulfonic acid, 2-((4-((3-methyl-4-((phenylsulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monosodium salt
CAS Number6408-90-8
PubChem CID80840
IUPAC Namesodium 2-[4-[[4-(benzenesulfonyloxy)-3-methylphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
Molecular FormulaC25H19N4NaO8S2
Molecular Weight590.6
Topological Polar Surface Area200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity1040
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-])OS(=O)(=O)C4=CC=CC=C4.[Na+]
InChI
InChI=1S/C25H20N4O8S2.Na/c1-17-15-20(11-14-24(17)37-39(35,36)22-5-3-2-4-6-22)28-27-19-9-7-18(8-10-19)26-23-13-12-21(29(30)31)16-25(23)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1
InChIKey
JJOZGUHSYVEZEB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of benzenesulfonic acid, 2-((4-((3-methyl-4-((phenylsulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monosodium salt
CAS: 6408-90-8
CID: 80840
Formula: C25H19N4NaO8S2
MW: 590.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass590.05420021
Monoisotopic Mass590.05420021
Topological Polar Surface Area200 Ų
Heavy Atom Count40
Formal Charge0
Complexity1040
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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