sodium--4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate (1/1)
Chemical Structure Depiction of
sodium--4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate (1/1)
sodium--4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate (1/1)
Compound characteristics
| Compound ID: | 0073-0038 |
| Compound Name: | sodium--4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate (1/1) |
| Molecular Weight: | 580.65 |
| Molecular Formula: | C27 H29 N2 O7 S2 |
| Salt: | Na+ |
| Smiles: | CCN(CC)c1ccc2C(=C3C=CC(C=C3Oc2c1)=[N+](CC)CC)c1ccc(cc1S([O-])(=O)=O)S([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6658 |
| logD: | 0.6658 |
| logSw: | -2.3959 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.61 |
| InChI Key: | IOOMXAQUNPWDLL-UHFFFAOYSA-M |