SpectraBase Compound ID | Goz4rOO71Lg |
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InChI | InChI=1S/C48H25Cl4F9N4O3S/c49-28-9-1-24(2-10-28)40-33-17-18-34(62-33)41(25-3-11-29(50)12-4-25)36-21-22-38(64-36)43(27-7-15-31(52)16-8-27)44-32(45(53,54)46(55,56)68-47(57,58)48(59,60)69(61,66)67)23-39(65-44)42(37-20-19-35(40)63-37)26-5-13-30(51)14-6-26/h1-23,63-64H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43- |
InChIKey | CWOVHHRHFGVUGC-FGSSQFOESA-N |
Mol Weight | 1050.6 g/mol |
Molecular Formula | C48H25Cl4F9N4O3S |
Exact Mass | 1048.025776 g/mol |
SpectraBase Spectrum ID | KorRsm7Mx0K |
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Name | 2-(3-oxa-Omega-fluorosulfonylperfluoropentanyl)-5,10,15,20-tetrakis-(4-chlorophenyl)-porphyrin |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 1048.025776119 u |
Formula | C48H25Cl4F9N4O3S |
InChI | InChI=1S/C48H25Cl4F9N4O3S/c49-28-9-1-24(2-10-28)40-33-17-18-34(62-33)41(25-3-11-29(50)12-4-25)36-21-22-38(64-36)43(27-7-15-31(52)16-8-27)44-32(45(53,54)46(55,56)68-47(57,58)48(59,60)69(61,66)67)23-39(65-44)42(37-20-19-35(40)63-37)26-5-13-30(51)14-6-26/h1-23,63-64H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43- |
InChIKey | CWOVHHRHFGVUGC-FGSSQFOESA-N |
Molecular Weight | 1050.611 g/mol |
SMILES | C(F)(F)(C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F)C=1C=2C(=C3C=CC(=C(C=4C=CC(=C(C5=CC=C(C(=C(C1)N2)C1=CC=C(C=C1)Cl)N5)C1=CC=C(C=C1)Cl)N4)C1=CC=C(C=C1)Cl)N3)C1=CC=C(C=C1)Cl |