NCS
中国新化学物质查询
活性翠蓝 KN-G(Reactive Blue 21)
UNII-377M303BWG, Levafix Turquoise Blue E-G, Sumifix Turquoise Blue G, Remasol Turquoise Blue G, Diamira Turquoise Blue, Remasol Turquoise Blue B
CAS号: 12236-86-1
IUPAC名称: copper 33-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfamoyl]-2,11,20,29,39,40-hexaza-37,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15,24-trisulfonic acid
分子式: C40H25CuN9O14S5
分子量: 1079.55000
InChI: InChI=1S/C40H25N9O14S5.Cu/c50-13-14-64(51,52)20-3-1-19(2-4-20)49-65(53,54)21-5-9-25-29(15-21)37-41-33(25)43-38-31-17-23(67(58,59)60)7-11-27(31)35(45-38)47-40-32-18-24(68(61,62)63)8-12-28(32)36(48-40)46-39-30-16-22(66(55,56)57)6-10-26(30)34(42-37)44-39;/h1-12,15-18,49-50H,13-14H2,(H3-2,41,42,43,44,45,46,47,48,55,56,57,58,59,60,61,62,63);/q-2;+2
InChIKey: WXQMFIJLJLLQIS-UHFFFAOYSA-N
SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=NC5=NC(=NC6=NC(=NC7=C8C=C(C=CC8=C([N-]7)N=C3[N-]4)S(=O)(=O)O)C9=C6C=C(C=C9)S(=O)(=O)O)C1=C5C=C(C=C1)S(=O)(=O)O)S(=O)(=O)CCO.[Cu+2]
EINECS: -
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