PFAS
全球PFAS筛查数据库
溶剂橙56(Solvent Orange 56)
CAS号: 12227-68-8
IUPAC名称: chromium(3+);3-(dioxidoamino)-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonate;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate
分子式: C32H23CrN10O14S2
分子量: 887.71000
InChI: InChI=1S/C16H13N5O7S.C16H11N5O7S.Cr/c2*1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;/h2-8,22-23H,1H3,(H,26,27,28);2-8H,1H3,(H,26,27,28);/q;-2;+3/p-1
InChIKey: UWONCBFTAQWRFD-UHFFFAOYSA-M
SMILES: [H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])N([O-])[O-])C3=CC=CC=C3.[Cr+3]
EINECS: 暂无
