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Acid Yellow 17

CAT: 0024-sc-397828Size: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-397828Size:100 g
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CAS Number
6359-98-4

Chemical Information

benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1h-pyrazol-1-yl)-, disodium salt

See also: CI Food yellow 5 (annotation moved to); Yellow 2G (annotation moved to).

CAS Number6359-98-4
PubChem CID22842
IUPAC Namedisodium;2,5-dichloro-4-[3-methyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonate
Molecular FormulaC16H10Cl2N4Na2O7S2
Molecular Weight551.3
Topological Polar Surface Area189
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity942
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
InChI
InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChIKey
FTZLWXQKVFFWLY-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-((4-sulfophenyl)azo)-1h-pyrazol-1-yl)-, disodium salt
CAS: 6359-98-4
CID: 22842
Formula: C16H10Cl2N4Na2O7S2
MW: 551.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass549.9163350
Monoisotopic Mass549.9163350
Topological Polar Surface Area189 Ų
Heavy Atom Count33
Formal Charge0
Complexity942
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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