YPF
Summary
| Name: | 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate |
| Formula: | C22 H19 O5 P |
| Formal charge: | 0 |
| Formula weight: | 394.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H19O5P/c23-13-3-1-5-17-7-9-19-11-12-20-10-8-18(16-22(20)21(19)15-17)6-2-4-14-27-28(24,25)26/h7-12,15-16,23H,3-4,13-14H2,(H2,24,25,26) |
| InChIKey | InChI | 1.03 | JDPQANOZGIUPKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCC#Cc1ccc2ccc3ccc(cc3c2c1)C#CCCO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OCCC#Cc1ccc2ccc3ccc(cc3c2c1)C#CCCO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O |
