A1ITG
Summary
| Name: | 1,2,3,4-tetrakis(bromanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione |
| Formula: | C18 H13 Br4 N O2 |
| Formal charge: | 0 |
| Formula weight: | 594.917 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,2,3,4-tetrakis(bromanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H13Br4NO2/c1-6(2)23-7-4-3-5-8(24)9(7)12-17(23)10-11(18(12)25)14(20)16(22)15(21)13(10)19/h6H,3-5H2,1-2H3 |
| InChIKey | InChI | 1.06 | HCEYYNWPRCEIOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1c2CCCC(=O)c2c3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4c13 |
| SMILES | CACTVS | 3.385 | CC(C)n1c2CCCC(=O)c2c3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2c(c3c1-c4c(c(c(c(c4Br)Br)Br)Br)C3=O)C(=O)CCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2c(c3c1-c4c(c(c(c(c4Br)Br)Br)Br)C3=O)C(=O)CCC2 |
