5,10,15,20-TETRAKIS-(1-ETHYL-PYRIDIN-2-YL)-PORPHYRIN TETRATOSYLATE SALT

CAS No.
CCD No.
CCD00783493
Formula
C48 H46 N8 . 4 C7 H7 O3 S
MolWeight
1419.73

Basic Information

Product Name: 5,10,15,20-TETRAKIS-(1-ETHYL-PYRIDIN-2-YL)-PORPHYRIN TETRATOSYLATE SALT
English Synonyms: 5,10,15,20-TETRAKIS-(1-ETHYL-PYRIDIN-2-YL)-PORPHYRIN TETRATOSYLATE SALT
MDL Number.: MFCD09752894
H bond acceptor: 8
H bond donor: 2
Smile: CC[n+]1ccccc1/c2/c3ccc([nH]3)/c(c/4\nc(/c(c\5/cc/c(/[nH]5)c(/c6n\c2\C=C6)\c7cccc[n+]7CC)/c8cccc[n+]8CC)C=C4)/c9cccc[n+]9CC.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]
InChi: InChI=1S/C48H45N8.4C7H8O3S/c1-5-53-29-13-9-17-41(53)45-33-21-23-35(49-33)46(42-18-10-14-30-54(42)6-2)37-25-27-39(51-37)48(44-20-12-16-32-56(44)8-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)43-19-11-15-31-55(43)7-3;4*1-6-2-4-7(5-3-6)11(8,9)10/h9-32H,5-8H2,1-4H3,(H,49,50,51,52);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b45-33+,45-34+,46-35+,46-37+,47-36+,47-38+,48-39+,48-40+;;;;
InChiKey: InChIKey=RJSAKZMOCNCTOM-AFHUQFBESA-K

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