8005-79-6 Purity
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Specification
The PubChem CID for Vat Blue 6 is 8532.
The molecular formula of Vat Blue 6 is C28H12Cl2N2O4.
The molecular weight of Vat Blue 6 is 511.3 g/mol.
The IUPAC name of Vat Blue 6 is 15,30-dichloro-2,17-diazaheptacyclo[16.12.0.0 3,16 .0 4,13 .0 6,11 .0 19,28 .0 21,26 ]triaconta-1(30),3,6,8,10,13,15,18,21,23,25,28-dodecaene-5,12,20,27-tetrone.
The InChI of Vat Blue 6 is InChI=1S/C28H12Cl2N2O4/c29-17-9-15-19(27(35)13-7-3-1-5-11(13)25(15)33)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(34)12-6-2-4-8-14(12)28(20)36/h1-10,31-32H.
The InChIKey of Vat Blue 6 is UGCDBQWJXSAYIL-UHFFFAOYSA-N.
The canonical SMILES of Vat Blue 6 is C1=CC=C2C(=C1)C(=O)C3=CC(=C4C(=C3C2=O)NC5=C(C=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)Cl)Cl.
The CAS number of Vat Blue 6 is 130-20-1.
The ChEMBL ID of Vat Blue 6 is CHEMBL2001164.