PFAS
全球PFAS筛查数据库
还原蓝6(Vat Blue 6, Solubilized)
CAS号: 2519-28-0
IUPAC名称: tetrasodium;(15,30-dichloro-5,20,27-trisulfonatooxy-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-12-yl) sulfate
分子式: C28H12Cl2N2Na4O16S4
分子量: 923.52400
InChI: InChI=1S/C28H16Cl2N2O16S4.4Na/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44;;;;/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4
InChIKey: BBUUHUCPYAPBCE-UHFFFAOYSA-J
SMILES: C1=CC=C2C(=C1)C(=C3C=C(C4=C(C3=C2OS(=O)(=O)[O-])NC5=C(N4)C6=C(C7=CC=CC=C7C(=C6C=C5Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl)OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EINECS: -
