Inchi | InChI=1S/C24H27O4P/c1-16-7-17(2)11-22(10-16)26-29(25,27-23-12-18(3)8-19(4)13-23)28-24-14-20(5)9-21(6)15-24/h7-15H,1-6H3 |
InChIKey | LLPMAOBOEQFPRE-UHFFFAOYSA-N |
SMILES | CC1=CC(=CC(=C1)OP(=O)(OC2=CC(=CC(=C2)C)C)OC3=CC(=CC(=C3)C)C)C |
精確分子量 | 410.16481 |
氫鍵供體數(shù)量 | 0 |
氫鍵受體數(shù)量 | 4 |
重原子數(shù)量 | 29 |
可旋轉(zhuǎn)化學鍵數(shù)量 | 6 |
PSA | 44.76 |
SMILES
CC1C=C(C=C(C)C=1)OP(OC2=CC(C)=CC(C)=C2)(=O)OC3=CC(C)=CC(C)=C3