| SpectraBase Spectrum ID |
g1cItUClDX |
| Name |
21H,23H-Porphine-5,10,15-triol, 2,3,7,8,12,13,17,18-octaethyl-, tribenzoate (ester) |
| Alternate Name(s) |
5,10,15-Trisbenzoyloxy-2,3,7,8,12,13,17,18-octaethylporphyrin
7,17-bis(benzoyloxy)-4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl benzoate |
| CAS Registry Number |
59997-36-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C57H58N4O6 |
| InChI |
InChI=1S/C57H58N4O6/c1-9-36-38(11-3)46-52(65-55(62)33-26-20-17-21-27-33)48-40(13-5)42(15-7)50(60-48)54(67-57(64)35-30-24-19-25-31-35)51-43(16-8)41(14-6)49(61-51)53(66-56(63)34-28-22-18-23-29-34)47-39(12-4)37(10-2)45(59-47)32-44(36)58-46/h17-32,58,61H,9-16H2,1-8H3/b44-32-,45-32-,52-46+,52-48+,53-47+,53-49+,54-50+,54-51+ |
| InChIKey |
SIPPKADSLDBCEB-QAPDJCFXSA-N |
| Molecular Weight |
895.113 g/mol |
| SMILES |
[nH]1c2c(c(c1c(c1nc(cc3[nH]c(c(c4nc(c2OC(=O)c2ccccc2)c(c4CC)CC)OC(=O)c2ccccc2)c(c3CC)CC)c(c1CC)CC)OC(=O)c1ccccc1)CC)CC |
| SPLASH |
splash10-0uxr-0000093220-9d5014b593894a5bcfcb |
| Source of Spectrum |
KC-1976-800-0 |
| Wiley ID |
1418006 |
