| SpectraBase Spectrum ID |
JloybGQSlyI |
| 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 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
790.424676993 u |
| 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 |
C12=C3N=C(C=C4NC(C(=C4C)C)=C(C4=NC(=CC=5NC1=C(C5C)C)C(=C4C)C)C=1C(CCCCC4=CC(C(=CC4=O)CCCCC4=C2C=CC=C4)=O)=CC=CC1)C(=C3C)C |
![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/JloybGQSlyI/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")
