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84696-92-4 | 1,6-Anthracenedisulfonicacid,5-amino-9,10-dihydro-9,10-dioxo-8-[[3-sulfo-4-[(2-sulfoacetyl)amino]phenyl]amino]-,potassium salt (1:4)
CAS No: 84696-92-4 Catalog No: AG004Z7J MDL No:
Product Description
Catalog Number:
AG004Z7J
Chemical Name:
1,6-Anthracenedisulfonicacid,5-amino-9,10-dihydro-9,10-dioxo-8-[[3-sulfo-4-[(2-sulfoacetyl)amino]phenyl]amino]-,potassium salt (1:4)
CAS Number:
84696-92-4
Molecular Formula:
C22H13K4N3O15S4
Molecular Weight:
844.0029
IUPAC Name:
tetrapotassium;5-amino-9,10-dioxo-8-[3-sulfonato-4-[(2-sulfonatoacetyl)amino]anilino]anthracene-1,7-disulfonate
InChI:
InChI=1S/C22H17N3O15S4.4K/c23-11-7-15(44(38,39)40)20(19-18(11)21(27)10-2-1-3-13(42(32,33)34)17(10)22(19)28)24-9-4-5-12(14(6-9)43(35,36)37)25-16(26)8-41(29,30)31;;;;/h1-7,24H,8,23H2,(H,25,26)(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4
InChI Key:
DZRQYPVNVSQAIN-UHFFFAOYSA-J
SMILES:
O=C(CS(=O)(=O)[O-])Nc1ccc(cc1S(=O)(=O)[O-])Nc1c2c(c(cc1S(=O)(=O)[O-])N)C(=O)c1c(C2=O)c(ccc1)S(=O)(=O)[O-].[K+].[K+].[K+].[K+]
EC Number:
283-700-0
Properties
Complexity:
1550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
842.778g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
843.985g/mol
Monoisotopic Mass:
842.778g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
364A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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