| SpectraBase Spectrum ID |
3naUnhkCg4 |
| Name |
5,15-[p-Benzoquinone-1',4'-diyl bis(4",1"-butanediyl-2".1"-benzeno)]-2,3,7,8,12,13,17,18-octamethyl porphyrin |
| CAS Registry Number |
103548-74-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C54H54N4O2 |
| InChI |
InChI=1S/C54H54N4O2/c1-29-33(5)51-49-41-23-15-13-19-37(41)17-9-11-21-39-25-48(60)40(26-47(39)59)22-12-10-18-38-20-14-16-24-42(38)50(53-34(6)30(2)44(56-53)27-43(29)55-51)54-36(8)32(4)46(58-54)28-45-31(3)35(7)52(49)57-45/h13-16,19-20,23-28,55,58H,9-12,17-18,21-22H2,1-8H3/b43-27-,44-27-,45-28-,46-28-,51-49-,52-49-,53-50-,54-50- |
| InChIKey |
IMIZIUSVLPQOSK-OMELZOFKSA-N |
| Molecular Weight |
791.052 g/mol |
| SMILES |
[nH]1c2cc3nc(c4-c5c(CCCCC=6C(C=C(CCCCc7c(-c(c8nc(cc9[nH]c4c(c9C)C)c(c8C)C)c1c(c2C)C)cccc7)C(C6)=O)=O)cccc5)c(c3C)C |
| SPLASH |
splash10-002g-0004000900-7a7931361283d2a02bf4 |
| Source of Spectrum |
K-125-2297-7 |
| Synonyms |
28,29,33,34,37,38,42,43-octamethyl-47,48,49,50-tetraazanonacyclo[24.9.9.2(12,15).1(27,30).1(32,35).1(36,39).1(41,44).0(2,7).0(20,25)]pentaconta-1(35),2,4,6,12(46),14,20,22,24,26,28,30,32(49),33,36,38,40,42,47-nonadecaene-13,45-dione |
| Wiley ID |
1417035 |
![5,15-[p-Benzoquinone-1',4'-diyl bis(4",1"-butanediyl-2".1"-benzeno)]-2,3,7,8,12,13,17,18-octamethyl porphyrin](/api/spectrum/3naUnhkCg4/structure.png?h=300&w=458 "5,15-[p-Benzoquinone-1',4'-diyl bis(4\",1\"-butanediyl-2\".1\"-benzeno)]-2,3,7,8,12,13,17,18-octamethyl porphyrin")
