6397-02-0 Purity
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Specification
The molecular formula of Acid Violet 90 is C40H30CrN8Na2O10S2.
Acid Violet 90 was created on 2019-01-23 and last modified on 2023-12-23.
The IUPAC name of Acid Violet 90 is disodium;chromium;3-hydroxy-4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]naphthalene-1-sulfonate;3-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonate.
The InChI of Acid Violet 90 is InChI=1S/2C20H16N4O5S.Cr.2Na/c2*1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;;;/h2-11,25-26H,1H3,(H,27,28,29);2-11,23,25H,1H3,(H,27,28,29);;;/q;;;2*+1/p-2.
The Canonical SMILES of Acid Violet 90 is CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])O.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])O)O)C4=CC=CC=C4.[Na+].[Na+].[Cr].
The molecular weight of Acid Violet 90 is 944.8 g/mol.
Acid Violet 90 has 4 hydrogen bond donor counts.
The exact mass of Acid Violet 90 is 944.072675 g/mol.
Acid Violet 90 has 16 hydrogen bond acceptor counts.
There are 63 heavy atoms present in Acid Violet 90.
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