Zn(II) phthalocyanine tetrasulfonic acid
Catalog Number
ACM61586865-1
CAS
61586-86-5
Synonyms
5,10,15,20-Tetraphenyl-21H,23H-porphine
Molecular Weight
898.2
Molecular Formula
C32H16N8O12S4Zn
Product Information
Canonical SMILES
C1=CC2=C(C=C1S(=O)(=O)O)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)S(=O)(=O)O)C(=N7)N=C2[N-]3)S(=O)(=O)O)C9=C4C=CC(=C9)S(=O)(=O)O.[Zn+2]
Inchi
InChI=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
InChIKey
CNTYIVNBEJZRNM-UHFFFAOYSA-N
Melting Point
>300 ℃
Purity
95%
storage
room temperature
Complexity
2190
Hazard Statements
H334
Heavy Atom Count
57
Hydrogen Bond Acceptor Count
16
Hydrogen Bond Donor Count
4
MDL Number
MFCD00672308
Precautionary Statements
P260 P262
Rotatable Bond Count
4
Signal Word
Danger
Monoisotopic Mass
895.906194
Topological Polar Surface Area
327 Ų
Exact Mass
895.906194
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