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79817-79-1 | SODIUM 4-[[3-[(4-CHLORO-2-HYDROXYPHENYL)AZO]-2,6-DIHYDROXYPHENYL]AZO]BENZENESULFONATE
CAS No: 79817-79-1 Catalog No: AG005GZW MDL No:
Product Description
Catalog Number:
AG005GZW
Chemical Name:
SODIUM 4-[[3-[(4-CHLORO-2-HYDROXYPHENYL)AZO]-2,6-DIHYDROXYPHENYL]AZO]BENZENESULFONATE
CAS Number:
79817-79-1
Molecular Formula:
C18H12ClN4NaO6S
Molecular Weight:
470.8188
IUPAC Name:
sodium;4-[2-[5-[(4-chloro-2-hydroxyphenyl)hydrazinylidene]-2,6-dioxocyclohex-3-en-1-ylidene]hydrazinyl]benzenesulfonate
InChI:
InChI=1S/C18H13ClN4O6S.Na/c19-10-1-6-13(16(25)9-10)21-22-14-7-8-15(24)17(18(14)26)23-20-11-2-4-12(5-3-11)30(27,28)29;/h1-9,20-21,25H,(H,27,28,29);/q;+1/p-1
InChI Key:
XSRQHDFNXJVQNR-UHFFFAOYSA-M
SMILES:
Clc1ccc(c(c1)O)N=Nc1ccc(c(c1O)N=Nc1ccc(cc1)S(=O)(=O)[O-])O.[Na+]
EC Number:
279-310-5
Properties
Complexity:
880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.006g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
470.816g/mol
Monoisotopic Mass:
470.006g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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