5,10,15,20-Tetrakis(1-methyl-4-pyridinio)porphyrin tetra(p-toluenesulfonate)
CAS Registry Number®
36951-72-1
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CAS Name
5,10,15,20-Tetrakis(1-methyl-4-pyridinio)porphyrin tetra(p-toluenesulfonate)Molecular Formula
C44H38N8.4C7H7O3SCite this Page
5,10,15,20-Tetrakis(1-methyl-4-pyridinio)porphyrin tetra(p-toluenesulfonate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=36951-72-1 (retrieved ) (CAS RN: 36951-72-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C44H37N8.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);2-5H,1H3,(H,8,9,10)/q+3;/b41-33-,41-34?,42-35-,42-37?,43-36-,43-38?,44-39-,44-40?;
InChIKey
InChIKey=LZWDWCBCNUIVSC-JJUIXLEHSA-N
SMILES
C[N+]=1C=CC(C=2C=3NC(=CC3)C(=C4N=C(C=C4)C(=C5NC(=C(C6=NC2C=C6)C=7C=C[N+](C)=CC7)C=C5)C=8C=C[N+](C)=CC8)C=9C=C[N+](C)=CC9)=CC1.S(=O)(=O)([O-])C1=CC=C(C)C=C1
Canonical SMILES
O=S(=O)([O-])C1=CC=C(C=C1)C.N1=C2C=CC1=C(C3=CC=[N+](C=C3)C)C4=CC=C(N4)C(=C5N=C(C=C5)C(C6=CC=[N+](C=C6)C)=C7C=CC(N7)=C2C=8C=C[N+](=CC8)C)C=9C=C[N+](=CC9)C
Other Names for this Substance
- Pyridinium, 4,4′,4′′,4′′′-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[1-methyl-, 4-methylbenzenesulfonate (1:4)
- Pyridinium, 4,4′,4′′,4′′′-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:4)
- meso-Tetra(N-methyl-4-pyridinium)porphyrin tetratoluene-p-sulfonate
- 5,10,15,20-Tetrakis(N-methylpyridinium-4-yl)-21H,23H-porphine tetrakis(p-toluenesulfonate)
- meso-Tetrakis(1-methyl-4-pyridyl)porphyrin tetra(p-tosylate)
Deleted or Replaced CAS Registry Numbers
135737-45-0, 196792-70-8, 1453172-17-2
