InChIKey | LTWZNVWFOGRESW-UHFFFAOYSA-N |
Inchi | InChI=1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H,26,27,28);/q;+1 |
SMILES | O=C1C=C2CCC3C4CCC(C(COS(O)(=O)=O)=O)(O)C4(C)CC(O)C3C2(C)C=C1.[Na+] |
LogP | 2.46550 |
PSA | 146.58000 |
精确分子量 | 463.14000 |