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1324-06-7 | Anthracenesulfonic acid, 1-amino-9,10-dihydro-2-methyl-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2)
CAS No: 1324-06-7 Catalog No: AG0010NM MDL No:
Product Description
Catalog Number:
AG0010NM
Chemical Name:
Anthracenesulfonic acid, 1-amino-9,10-dihydro-2-methyl-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2)
CAS Number:
1324-06-7
Molecular Formula:
C22H19N2Na2O8S2+
Molecular Weight:
549.5044
IUPAC Name:
disodium;2-[(4-azanidyloxysulfonyl-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate
InChI:
InChI=1S/C22H17N2O8S2.2Na/c1-11-7-8-15(17(9-11)33(27,28)29)24-16-10-12(2)22(34(30,31)32-23)19-18(16)20(25)13-5-3-4-6-14(13)21(19)26;;/h3-10,23-24H,1-2H3,(H,27,28,29);;/q-1;2*+1/p-1
InChI Key:
ITUHFYWLEKLXJM-UHFFFAOYSA-M
SMILES:
Cc1ccc(c(c1)S(=O)(=O)O)NC1=CC(C)C(C2=C1C(=O)c1ccccc1C2=O)(N)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
603-584-0
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.014g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
546.476g/mol
Monoisotopic Mass:
546.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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