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85030-60-0 | [1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-bis[2-[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-
CAS No: 85030-60-0 Catalog No: AG004PY7 MDL No:
Product Description
Catalog Number:
AG004PY7
Chemical Name:
[1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-bis[2-[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-
CAS Number:
85030-60-0
Molecular Formula:
C34H32N6O10S2
Molecular Weight:
748.7821
IUPAC Name:
5-[[1-(4-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-[4-[[1-(4-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid
InChI:
InChI=1S/C34H32N6O10S2/c1-19-5-9-23(10-6-19)35-33(43)31(21(3)41)39-37-25-13-15-27(29(17-25)51(45,46)47)28-16-14-26(18-30(28)52(48,49)50)38-40-32(22(4)42)34(44)36-24-11-7-20(2)8-12-24/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)
InChI Key:
HGEHAJHQWPJEGZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=NC(C(=O)Nc1ccc(cc1)C)C(=O)C
EC Number:
285-186-3
Properties
Complexity:
1440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
748.162g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
748.782g/mol
Monoisotopic Mass:
748.162g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
267A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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