1325-38-8 Purity
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Specification
The molecular formula of Direct Blue 86 is C32H14CuN8Na2O6S2.
The molecular weight of Direct Blue 86 is 780.2 g/mol.
Some synonyms for Direct Blue 86 include MFCD00071424 and AKOS025312535.
Direct Blue 86 was created on 2011-11-16 and last modified on 2023-12-23.
The component compounds of Direct Blue 86 include Sodium, Copper, and CID 6013640.
The IUPAC name of Direct Blue 86 is copper;disodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.1 3,10 .1 12,19 .1 21,28 .0 4,9 .0 13,18 .0 22,27 .0 31,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-6,24-disulfonate.
The InChIKey of Direct Blue 86 is LSASILAMYYWGBH-UHFFFAOYSA-L.
The Canonical SMILES representation of Direct Blue 86 is C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)C9=C4C=CC(=C9)S(=O)(=O)[O-].[Na+].[Na+].[Cu+2]
The CAS number for Direct Blue 86 is 1330-38-7.
The European Community (EC) number for Direct Blue 86 is 215-537-8.