6897-38-7 Purity
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Specification
The molecular formula of Direct Violet 12 is C32H22N6Na2O8S2.
The molecular weight of Direct Violet 12 is 728.7 g/mol.
The IUPAC name of Direct Violet 12 is disodium;6-amino-2-[[4-[4-[(6-amino-1-oxido-3-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-3-sulfonaphthalen-1-olate.
The InChI of Direct Violet 12 is InChI=1S/C32H24N6O8S2.2Na/c33-21-5-11-25-19(13-21)15-27(47(41,42)43)29(31(25)39)37-35-23-7-1-17(2-8-23)18-3-9-24(10-4-18)36-38-30-28(48(44,45)46)16-20-14-22(34)6-12-26(20)32(30)40;;/h1-16,39-40H,33-34H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2.
The InChIKey of Direct Violet 12 is SLBQSDSILYKYBX-UHFFFAOYSA-L.
The Canonical SMILES of Direct Violet 12 is C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])N)S(=O)(=O)O)N=NC5=C(C=C6C=C(C=CC6=C5[O-])N)S(=O)(=O)O.[Na+].[Na+].
The CAS number of Direct Violet 12 is 2429-75-6.
Direct Violet 12 has 4 hydrogen bond donor counts.
Direct Violet 12 has 14 hydrogen bond acceptor counts.
The topological polar surface area of Direct Violet 12 is 273 Ų.
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