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Home > Nitro Compounds > 83006-49-9
83006-49-9 | sodium 2-[4-[[4-[[(p-tolyl)sulphonyl]oxy]-3-tolyl]azo]anilino]-5-nitrobenzenesulphonate
CAS No: 83006-49-9 Catalog No: AG00GJZC MDL No:
Product Description
Catalog Number:
AG00GJZC
Chemical Name:
sodium 2-[4-[[4-[[(p-tolyl)sulphonyl]oxy]-3-tolyl]azo]anilino]-5-nitrobenzenesulphonate
CAS Number:
83006-49-9
IUPAC Name:
sodium;2-[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
InChI:
InChI=1S/C26H22N4O8S2.Na/c1-17-3-11-23(12-4-17)40(36,37)38-25-14-9-21(15-18(25)2)29-28-20-7-5-19(6-8-20)27-24-13-10-22(30(31)32)16-26(24)39(33,34)35;/h3-16,27H,1-2H3,(H,33,34,35);/q;+1/p-1
InChI Key:
SKFIFCOCLZVGGJ-UHFFFAOYSA-M
EC Number:
280-099-7
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
604.07g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
604.584g/mol
Monoisotopic Mass:
604.07g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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