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84083-11-4 | 2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-6-[2-(1-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-,sodium salt (1:4)
CAS No: 84083-11-4 Catalog No: AG004T6Q MDL No:
Product Description
Catalog Number:
AG004T6Q
Chemical Name:
2,7-Naphthalenedisulfonicacid,4-amino-5-hydroxy-6-[2-(1-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-,sodium salt (1:4)
CAS Number:
84083-11-4
Molecular Formula:
C28H19N5Na4O16S5
Molecular Weight:
933.7584
IUPAC Name:
tetrasodium;5-amino-4-hydroxy-3-[(1-sulfonatonaphthalen-2-yl)diazenyl]-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C28H23N5O16S5.4Na/c29-24-23-16(13-21(51(37,38)39)25(24)32-30-17-6-8-18(9-7-17)50(35,36)12-11-49-54(46,47)48)14-22(52(40,41)42)26(27(23)34)33-31-20-10-5-15-3-1-2-4-19(15)28(20)53(43,44)45;;;;/h1-10,13-14,34H,11-12,29H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4
InChI Key:
JTJYLXJWOIPCOC-UHFFFAOYSA-J
SMILES:
Nc1c2c(cc(c1N=Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc2c(c1S(=O)(=O)[O-])cccc2)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
282-059-4
Properties
Complexity:
1890
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
932.902g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
933.738g/mol
Monoisotopic Mass:
932.902g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
410A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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