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73398-41-1 | 2,7-Naphthalenedisulfonicacid,5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[2-(4-sulfo-1-naphthalenyl)diazenyl]-,sodium salt (1:3)
CAS No: 73398-41-1 Catalog No: AG005EE9 MDL No:
Product Description
Catalog Number:
AG005EE9
Chemical Name:
2,7-Naphthalenedisulfonicacid,5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[2-(4-sulfo-1-naphthalenyl)diazenyl]-,sodium salt (1:3)
CAS Number:
73398-41-1
Molecular Formula:
C23H11Cl2N6Na3O10S3
Molecular Weight:
767.4380
IUPAC Name:
trisodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C23H14Cl2N6O10S3.3Na/c24-21-27-22(25)29-23(28-21)26-15-9-11(42(33,34)35)7-10-8-17(44(39,40)41)19(20(32)18(10)15)31-30-14-5-6-16(43(36,37)38)13-4-2-1-3-12(13)14;;;/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29);;;/q;3*+1/p-3
InChI Key:
VDOVAGAGZHZURJ-UHFFFAOYSA-K
SMILES:
Clc1nc(nc(n1)Cl)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(c2c1cccc2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
277-439-1
Properties
Complexity:
1340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
765.877g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
767.422g/mol
Monoisotopic Mass:
765.877g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
292A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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