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83400-19-5 | 1,7-Naphthalenedisulfonicacid,2-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-hydroxy-6-[2-(4-methoxy-2,5-disulfophenyl)diazenyl]-,sodium salt (1:4)
CAS No: 83400-19-5 Catalog No: AG004RTT MDL No:
Product Description
Catalog Number:
AG004RTT
Chemical Name:
1,7-Naphthalenedisulfonicacid,2-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-hydroxy-6-[2-(4-methoxy-2,5-disulfophenyl)diazenyl]-,sodium salt (1:4)
CAS Number:
83400-19-5
Molecular Formula:
C26H13Cl2N5Na4O15S4
Molecular Weight:
926.5310
IUPAC Name:
tetrasodium;2-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-hydroxy-6-[(4-methoxy-2,5-disulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate
InChI:
InChI=1S/C26H17Cl2N5O15S4.4Na/c1-48-17-9-18(49(36,37)38)16(8-19(17)50(39,40)41)32-33-21-20(51(42,43)44)7-12-11(22(21)34)3-5-14(23(12)52(45,46)47)31-26(35)10-2-4-13-15(6-10)30-25(28)24(27)29-13;;;;/h2-9,34H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4
InChI Key:
UISBBKOBBQADCD-UHFFFAOYSA-J
SMILES:
COc1cc(c(cc1S(=O)(=O)[O-])N=Nc1c(O)c2ccc(c(c2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)c1ccc2c(c1)nc(c(n2)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
280-435-2
Properties
Complexity:
1750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
924.826g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
926.509g/mol
Monoisotopic Mass:
924.826g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
371A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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