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85135-90-6 | TRISODIUM 7-ACETAMIDO-4-HYDROXY-3-[[2-SULPHONATO-4-[(4-SULPHONATOPHENYL)AZO]PHENYL]AZO]NAPHTHALENE-2-SULPHONATE
CAS No: 85135-90-6 Catalog No: AG004R8R MDL No:
Product Description
Catalog Number:
AG004R8R
Chemical Name:
TRISODIUM 7-ACETAMIDO-4-HYDROXY-3-[[2-SULPHONATO-4-[(4-SULPHONATOPHENYL)AZO]PHENYL]AZO]NAPHTHALENE-2-SULPHONATE
CAS Number:
85135-90-6
Molecular Formula:
C24H16N5Na3O11S3
Molecular Weight:
715.5751
IUPAC Name:
trisodium;7-acetamido-4-hydroxy-3-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C24H19N5O11S3.3Na/c1-13(30)25-16-4-8-19-14(10-16)11-22(43(38,39)40)23(24(19)31)29-28-20-9-5-17(12-21(20)42(35,36)37)27-26-15-2-6-18(7-3-15)41(32,33)34;;;/h2-12,31H,1H3,(H,25,30)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3
InChI Key:
SMBLNGPWAGSHAL-UHFFFAOYSA-K
SMILES:
CC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
285-711-6
Properties
Complexity:
1340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
714.97g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
715.565g/mol
Monoisotopic Mass:
714.97g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
296A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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