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84753-06-0 | Tetrasodium 4,4-bis((1-hydroxy-4-sulphonato-2-naphthyl)azo)(1,1-biphenyl)-2,2-disulphonate
CAS No: 84753-06-0 Catalog No: AG004OY5 MDL No:
Product Description
Catalog Number:
AG004OY5
Chemical Name:
Tetrasodium 4,4-bis((1-hydroxy-4-sulphonato-2-naphthyl)azo)(1,1-biphenyl)-2,2-disulphonate
CAS Number:
84753-06-0
Molecular Formula:
C32H18N4Na4O14S4
Molecular Weight:
902.7228
IUPAC Name:
tetrasodium;4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-2-sulfonatophenyl]-3-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate
InChI:
InChI=1S/C32H22N4O14S4.4Na/c37-31-23-7-3-1-5-19(23)29(53(45,46)47)15-25(31)35-33-17-9-11-21(27(13-17)51(39,40)41)22-12-10-18(14-28(22)52(42,43)44)34-36-26-16-30(54(48,49)50)20-6-2-4-8-24(20)32(26)38;;;;/h1-16,37-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4
InChI Key:
USDZYAJCEHBAOX-UHFFFAOYSA-J
SMILES:
Oc1c(N=Nc2ccc(c(c2)S(=O)(=O)[O-])c2ccc(cc2S(=O)(=O)[O-])N=Nc2cc(c3c(c2O)cccc3)S(=O)(=O)[O-])cc(c2c1cccc2)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
283-852-8
Properties
Complexity:
1650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
901.929g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
902.709g/mol
Monoisotopic Mass:
901.929g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
352A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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