| SpectraBase Spectrum ID |
8OBVyFlSuQh |
| Name |
21H,23H-Porphinemethanol, 5-(benzoyloxy)heptaethyl-.alpha.-methyl-, benzoate (ester) |
| Alternate Name(s) |
9-[2-(benzoyloxy)ethyl]-4,5,10,14,15,19,20-heptaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl benzoate
meso-benzoyloxy-(1-benzoyloxyethyl)heptaethylporphyrin |
| CAS Registry Number |
59942-59-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H54N4O4 |
| InChI |
InChI=1S/C50H54N4O4/c1-8-32-33(9-2)41-28-43-34(10-3)37(13-6)46(53-43)48(58-50(56)31-23-19-16-20-24-31)47-38(14-7)35(11-4)44(54-47)29-45-39(36(12-5)42(52-45)27-40(32)51-41)25-26-57-49(55)30-21-17-15-18-22-30/h15-24,27-29,51,54H,8-14,25-26H2,1-7H3/b40-27-,41-28-,42-27-,43-28-,44-29-,45-29-,48-46+,48-47+ |
| InChIKey |
AIIIIBJGWJVFIC-WGPDLDCGSA-N |
| Molecular Weight |
775.006 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4CC)CC)OC(=O)c2ccccc2)c(c3CC)CC)c(c1CC)CCOC(=O)c1ccccc1)CC)CC |
| SPLASH |
splash10-00di-0900010000-34a84effb4d686e15f63 |
| Source of Spectrum |
KC-1976-800-0 |
| Wiley ID |
1416792 |
