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88329-78-6 | 2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[(1-oxopropyl)amino]phenyl]amino]-,sodium salt (1:1)
CAS No: 88329-78-6 Catalog No: AG0048AV MDL No:
Product Description
Catalog Number:
AG0048AV
Chemical Name:
2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[(1-oxopropyl)amino]phenyl]amino]-,sodium salt (1:1)
CAS Number:
88329-78-6
Molecular Formula:
C23H18N3NaO6S
Molecular Weight:
487.4603
IUPAC Name:
sodium;1-amino-9,10-dioxo-4-[4-(propanoylamino)anilino]anthracene-2-sulfonate
InChI:
InChI=1S/C23H19N3O6S.Na/c1-2-18(27)26-13-9-7-12(8-10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-5-3-4-6-15(14)23(20)29;/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32);/q;+1/p-1
InChI Key:
SJHDCKHEJHVACV-UHFFFAOYSA-M
SMILES:
CCC(=O)Nc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[Na+]
EC Number:
289-401-1
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.081g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
487.462g/mol
Monoisotopic Mass:
487.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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