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Acid yellow 25

CAT: 0024-sc-214483Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-214483Size:10 g
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CAS Number
6359-85-9

Chemical Information

Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-4-[2-[4-methyl-3-[(phenylamino)sulfonyl]phenyl]diazenyl]-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)

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CAS Number6359-85-9
PubChem CID23675736
IUPAC Namesodium 4-[3-methyl-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Molecular FormulaC23H20N5NaO6S2
Molecular Weight549.6
Topological Polar Surface Area178
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity1070
SMILES
CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C)S(=O)(=O)NC4=CC=CC=C4.[Na+]
InChI
InChI=1S/C23H21N5O6S2.Na/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34;/h3-14,22,27H,1-2H3,(H,32,33,34);/q;+1/p-1
InChIKey
WYLWMAWLDZBLRN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-4-[2-[4-methyl-3-[(phenylamino)sulfonyl]phenyl]diazenyl]-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
CAS: 6359-85-9
CID: 23675736
Formula: C23H20N5NaO6S2
MW: 549.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight549.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass549.07527000
Monoisotopic Mass549.07527000
Topological Polar Surface Area178 Ų
Heavy Atom Count37
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes