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84852-26-6

84852-26-6 | 2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulfophenyl]amino]-,potassium salt (1:2)

CAS No: 84852-26-6 Catalog No: AG004QNX MDL No:

Product Description

Catalog Number:
AG004QNX
Chemical Name:
2-Anthracenesulfonicacid,1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulfophenyl]amino]-,potassium salt (1:2)
CAS Number:
84852-26-6
Molecular Formula:
C23H17K2N3O9S2
Molecular Weight:
621.7224
IUPAC Name:
dipotassium;1-amino-9,10-dioxo-4-[3-(propanoylamino)-4-sulfonatoanilino]anthracene-2-sulfonate
InChI:
InChI=1S/C23H19N3O9S2.2K/c1-2-18(27)26-14-9-11(7-8-16(14)36(30,31)32)25-15-10-17(37(33,34)35)21(24)20-19(15)22(28)12-5-3-4-6-13(12)23(20)29;;/h3-10,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
InChI Key:
KYZKUVKWCDIFNB-UHFFFAOYSA-L
SMILES:
CCC(=O)Nc1cc(ccc1S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[K+].[K+]
EC Number:
284-337-0

Properties

Complexity:
1100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.968g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
621.718g/mol
Monoisotopic Mass:
620.968g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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