| SpectraBase Spectrum ID |
CEpO4AoU2uX |
| Name |
{5-[4(a)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex-(e)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(II) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C58H46N4O2Zn |
| InChI |
InChI=1S/C58H46N4O2.Zn/c1-33-9-15-38(16-10-33)53-44-25-27-46(59-44)54(39-17-11-34(2)12-18-39)48-29-31-50(61-48)56(41-23-21-37(22-24-41)52-36(4)57(63)42-7-5-6-8-43(42)58(52)64)51-32-30-49(62-51)55(47-28-26-45(53)60-47)40-19-13-35(3)14-20-40;/h5-20,25-32,37,41H,21-24H2,1-4H3;/q-2;+2/b53-44-,53-45-,54-46-,54-48-,55-47-,55-49-,56-50-,56-51-; |
| InChIKey |
VMRIETAJODHRRI-LQWROSRFSA-N |
| Molecular Weight |
896.414 g/mol |
| SMILES |
c12[n]3[Zn][n]4c(c(c5nc(c1-c1ccc(cc1)C)cc5)-c1ccc(cc1)C)ccc4c(c1nc(c(c3cc2)-c2ccc(cc2)C)cc1)C1CCC(C2=C(C(=O)c3c(C2=O)cccc3)C)CC1 |
| SPLASH |
splash10-0006-0000009010-04e6215826e24c5f635a |
| Source of Spectrum |
J-62-8680-36 |
| Synonyms |
{5-[4(e)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex-(e)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(II) |
| Wiley ID |
1418008 |
![{5-[4(A)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex-(E)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(ii)](/api/spectrum/CEpO4AoU2uX/structure.png?h=300&w=458 "{5-[4(A)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex-(E)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(ii)")
