CV0
Summary
| Name: | MESOPORPHYRIN IX CONTAINING Rh |
| Formula: | C34 H36 N4 O4 Rh |
| Formal charge: | 0 |
| Formula weight: | 667.58 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C34H38N4O4.Rh/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; |
| InChIKey | InChI | 1.03 | NFQMMXJPHNTZHQ-RGGAHWMASA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C(C)C2=Cc3n4[Rh][N@]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C)c3CC)C(=C6CCC(O)=O)C)C |
| SMILES | CACTVS | 3.385 | CCC1=C(C)C2=Cc3n4[Rh][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C)c3CC)C(=C6CCC(O)=O)C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C |
