NCS
中国新化学物质查询
(4,4',4'',4'''-四磺酸基酞菁)钴((4,4',4'',4'''-Tetrasulfophthalocyaninato)cobalt)
Cobalt(2+) hydrogen phthalocyanine-29,30-diide-2,9,16,23-tetrasulfonate (1:4:1), EINECS 238-200-7
CAS号: 14285-59-7
IUPAC名称: cobalt(2+);2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,33-tetrasulfonate;hydron
分子式: C32H16CoN8O12S4
分子量: 891.70900
InChI: InChI=1S/C32H16N8O12S4.Co/c41-53(42,43)13-1-5-17-21(9-13)29-33-25(17)37-30-22-10-14(54(44,45)46)2-6-18(22)27(34-30)39-32-24-12-16(56(50,51)52)4-8-20(24)28(36-32)40-31-23-11-15(55(47,48)49)3-7-19(23)26(35-31)38-29;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q-2;+2
InChIKey: ZWLKKKRIYPQRQD-UHFFFAOYSA-N
SMILES: [H+].[H+].[H+].[H+].C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=NC(=NC6=C7C=CC(=CC7=C([N-]6)N=C2[N-]3)S(=O)(=O)[O-])C8=C5C=CC(=C8)S(=O)(=O)[O-])C9=C4C=CC(=C9)S(=O)(=O)[O-].[Co+2]
EINECS: -
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