28850-44-4
ZN(II) MESO-TETRA (N-METHYL-4-PYRIDYL) PORPHINE TETRACHLORIDE
NameZN(II) MESO-TETRA (N-METHYL-4-PYRIDYL) PORPHINE TETRACHLORIDE
FormulaC44 H36 N8 Zn . 4 Cl
1Identification
【Name】
ZN(II) MESO-TETRA (N-METHYL-4-PYRIDYL) PORPHINE TETRACHLORIDE
【CAS】
【MDL】
MFCD00274280
【English Synonyms】
【Formula】
C44 H36 N8 Zn . 4 Cl
【MolWeight】
884.026
【Inchi】
InChI=1S/C44H36N8.4ClH.Zn/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;;/h5-28H,1-4H3;4*1H;/q+2;;;;;+2/p-4
【InChIKey】
InChIKey=RHJQPWZUPWLVAH-UHFFFAOYSA-J
【SMILES】
C[n+]1ccc(cc1)/c2/c3ccc/4n3[Zn]n\5/c(/cc/c5c(/c6n/c(c4/c7cc[n+](cc7)C)/C=C6)\c8cc[n+](cc8)C)c(\c9n\c2\C=C9)/c1cc[n+](cc1)C.[Cl-].[Cl-].[Cl-].[Cl-]
【MOL File】
ZN(II) MESO-TETRA (N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ZN(II) MESO-TETRA (N-METHYL-4-PYRIDYL) PORPHINE TETRACHLORIDE.cml