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84852-24-4 | DISODIUM 6-AMINO-4-HYDROXY-5-[[4-[[(4-METHYL-2-SULFONATOPHENYL)AMINO]SULFONYL]PHENYL]AZO]NAPHTHALENE-2-SULFONATE
CAS No: 84852-24-4 Catalog No: AG004N3N MDL No:
Product Description
Catalog Number:
AG004N3N
Chemical Name:
DISODIUM 6-AMINO-4-HYDROXY-5-[[4-[[(4-METHYL-2-SULFONATOPHENYL)AMINO]SULFONYL]PHENYL]AZO]NAPHTHALENE-2-SULFONATE
CAS Number:
84852-24-4
Molecular Formula:
C23H18N4Na2O9S3
Molecular Weight:
636.5850
IUPAC Name:
disodium;6-amino-4-hydroxy-5-[[4-[(4-methyl-2-sulfonatophenyl)sulfamoyl]phenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C23H20N4O9S3.2Na/c1-13-2-9-19(21(10-13)39(34,35)36)27-37(29,30)16-6-4-15(5-7-16)25-26-23-18(24)8-3-14-11-17(38(31,32)33)12-20(28)22(14)23;;/h2-12,27-28H,24H2,1H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2
InChI Key:
BPNBDRFMIGSYRB-UHFFFAOYSA-L
SMILES:
Cc1ccc(c(c1)S(=O)(=O)[O-])NS(=O)(=O)c1ccc(cc1)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
284-334-4
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
636.003g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
636.576g/mol
Monoisotopic Mass:
636.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
257A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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