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83221-61-8 | 2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxyphenyl)azo]-, potassiumsodium salt (9CI)
CAS No: 83221-61-8 Catalog No: AG004Z3B MDL No:
Product Description
Catalog Number:
AG004Z3B
Chemical Name:
2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxyphenyl)azo]-, potassiumsodium salt (9CI)
CAS Number:
83221-61-8
Molecular Formula:
C35H26KN6NaO11S2
Molecular Weight:
832.8326
IUPAC Name:
potassium;sodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C35H28N6O11S2.K.Na/c1-51-27-9-5-3-7-25(27)38-40-31-29(53(45,46)47)17-19-15-21(11-13-23(19)33(31)42)36-35(44)37-22-12-14-24-20(16-22)18-30(54(48,49)50)32(34(24)43)41-39-26-8-4-6-10-28(26)52-2;;/h3-18,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
InChI Key:
CSJKEJNPIPGIKO-UHFFFAOYSA-L
SMILES:
COc1ccccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1OC)S(=O)(=O)[O-].[Na+].[K+]
EC Number:
280-239-7
Properties
Complexity:
1420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
832.064g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
832.832g/mol
Monoisotopic Mass:
832.064g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
281A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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