| SpectraBase Spectrum ID |
CmfFwq4tNTT |
| Name |
Iron, (benzenesulfonato-O)[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato (2-)-N21,N22,N23,N24]-, (SP-5-12)- |
| Alternate Name(s) |
21H,23H-porphine, 2,3,7,8,12,13,17,18-octaethyl-, iron complex
4,5,9,10,14,15,19,20-octaethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-22-yl benzenesulfonate
Benzenesulfonic acid, iron complex
Phenlsulfonato(2,3,7,8,12,13,17,18-octaethylprophyrinato)iron |
| CAS Registry Number |
91071-33-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H49FeN4O3S |
| InChI |
InChI=1S/C36H44N4.C6H6O3S.Fe/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;7-10(8,9)6-4-2-1-3-5-6;/h17-20H,9-16H2,1-8H3;1-5H,(H,7,8,9);/q-2;;+3/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;; |
| InChIKey |
MQAPBLJCTRXUTM-YAJYDHHFSA-M |
| Molecular Weight |
745.784 g/mol |
| SMILES |
c12[n]3[Fe]([n]4c(cc5c(c(c(c2)n5)CC)CC)c(c(c4cc2nc(cc3c(CC)c1CC)c(CC)c2CC)CC)CC)OS(=O)(=O)c1ccccc1 |
| SPLASH |
splash10-000b-0000060900-d3b522c515cfdfb2b86f |
| Source of Spectrum |
KA-1984-571-4 |
| Wiley ID |
1416227 |
![Iron, (benzenesulfonato-O)[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato (2-)-N21,N22,N23,N24]-, (SP-5-12)-](/api/spectrum/CmfFwq4tNTT/structure.png?h=300&w=458 "Iron, (benzenesulfonato-O)[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato (2-)-N21,N22,N23,N24]-, (SP-5-12)-")
