835611-74-0 Purity
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Specification
The molecular formula of Acid Brown 419 is C22H15N5Na2O7S2.
The molecular weight of Acid Brown 419 is 571.5 g/mol.
The IUPAC name of Acid Brown 419 is disodium;6-amino-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate.
The InChI of Acid Brown 419 is InChI=1S/C22H17N5O7S2.2Na/c23-14-2-1-13-11-20(36(32,33)34)21(22(28)19(13)12-14)27-26-16-5-3-15(4-6-16)24-25-17-7-9-18(10-8-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2.
The InChIKey of Acid Brown 419 is LPQMMPOQYQCZNV-UHFFFAOYSA-L.
The canonical SMILES of Acid Brown 419 is C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)[O-].[Na+].[Na+].
The CAS number of Acid Brown 419 is 83562-69-0.
There are 2 hydrogen bond donor counts in Acid Brown 419.
There are 12 hydrogen bond acceptor counts in Acid Brown 419.
Yes, Acid Brown 419 is a canonicalized compound.