| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O(P(O)(O)=O)CCC#Cc1ccc3c2c1ccc4c2c(cc3)ccc4C#CCCO |
| InChI | InChI | 1.03 | InChI=1S/C24H19O5P/c25-15-3-1-5-17-7-9-19-11-12-20-10-8-18(6-2-4-16-29-30(26,27)28)22-14-13-21(17)23(19)24(20)22/h7-14,25H,3-4,15-16H2,(H2,26,27,28) |
| InChIKey | InChI | 1.03 | QWSXKIZRUZWABW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCC#Cc1ccc2ccc3ccc(C#CCCO[P](O)(O)=O)c4ccc1c2c34 |
| SMILES | CACTVS | 3.385 | OCCC#Cc1ccc2ccc3ccc(C#CCCO[P](O)(O)=O)c4ccc1c2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O |
