QRH
Summary
| Name: | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide |
| Formula: | C36 H38 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 563.666 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+ |
| InChIKey | InChI | 1.03 | XYBUESNIYRZZQB-XSDFDVSCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)/C=C/C=C/c4ccc5OCOc5c4 |
| SMILES | CACTVS | 3.385 | O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)P(CCCCCCNC(=O)C=CC=Cc2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5 |
