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CHEBI:195320 - ZN(II) Phthalocyanine tetrasulfonic acid

Default Structure
ChEBI IDCHEBI:195320
ChEBI NameZN(II) Phthalocyanine tetrasulfonic acid
Stars
Submitterdoughowe
DownloadsMolfile
FormulaC32H16N8O12S4.Zn
Net Charge0
Average Mass898.182
Monoisotopic Mass895.90619
SMILES[H]OS(=O)(=O)c1c([H])c([H])c2c(c1[H])-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c([H])c([H])c(S(=O)(=O)O[H])c([H])c14)-c1c([H])c([H])c(S(=O)(=O)O[H])c([H])c1-3)c1c([H])c([H])c(S(=O)(=O)O[H])c([H])c21.[Zn+2]
InChIInChI=1S/C32H16N8O12S4.Zn/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
InChIKeyCNTYIVNBEJZRNM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ZN(II) Phthalocyanine tetrasulfonic acid (CHEBI:195320) is a organic molecular entity (CHEBI:50860)
Synonym  Source
ZnPCS4SUBMITTER
Manual XrefsDatabases
C14077KEGG COMPOUND
Citations