種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1 |
InChIKey | InChI | 1.03 | ASHQSKHFJGRKOP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4 |