種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1(cc(ccc1O)C(n3cc2c(cccc2)c3)=O)C(=O)n4cc5c(c4)cc(cc5)OCCCP(c6ccccc6)(c7ccccc7)c8ccccc8 |
InChI | InChI | 1.03 | InChI=1S/C45H37N2O4P/c48-43-24-22-33(44(49)46-29-34-13-10-11-14-35(34)30-46)28-42(43)45(50)47-31-36-21-23-38(27-37(36)32-47)51-25-12-26-52(39-15-4-1-5-16-39,40-17-6-2-7-18-40)41-19-8-3-9-20-41/h1-11,13-24,27-32,48,52H,12,25-26H2 |
InChIKey | InChI | 1.03 | LKRQAENWLOVTOO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccccc8c7 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccccc8c7 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(=O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7ccccc7)c8ccccc8 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(=O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7ccccc7)c8ccccc8 |