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85409-51-4 | DISODIUM 8-[[5-(PHENYLAMINO)SULFONYL-2-METHYLPHENYL]AZO]-7-HYDROXYNAPHTHALENE-1,3-DISULFONATE
CAS No: 85409-51-4 Catalog No: AG004KCS MDL No:
Product Description
Catalog Number:
AG004KCS
Chemical Name:
DISODIUM 8-[[5-(PHENYLAMINO)SULFONYL-2-METHYLPHENYL]AZO]-7-HYDROXYNAPHTHALENE-1,3-DISULFONATE
CAS Number:
85409-51-4
Molecular Formula:
C23H17N3Na2O9S3
Molecular Weight:
621.5703
IUPAC Name:
disodium;7-hydroxy-8-[[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-1,3-disulfonate
InChI:
InChI=1S/C23H19N3O9S3.2Na/c1-14-7-9-17(36(28,29)26-16-5-3-2-4-6-16)12-19(14)24-25-23-20(27)10-8-15-11-18(37(30,31)32)13-21(22(15)23)38(33,34)35;;/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
InChI Key:
VTPJKWZZLUVOPP-UHFFFAOYSA-L
SMILES:
Cc1ccc(cc1N=Nc1c(O)ccc2c1c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)Nc1ccccc1.[Na+].[Na+]
EC Number:
287-120-9
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.992g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
621.561g/mol
Monoisotopic Mass:
620.992g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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