| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C12H19NO2.H2O4S |
| Molecular Weight | 516.648 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CCCCNC[C@@H](O)C1=CC=C(O)C=C1.CCCCNC[C@@H](O)C2=CC=C(O)C=C2
InChI
InChIKey=PARMADWNFXEEFC-IUWNWRFPSA-N
InChI=1S/2C12H19NO2.H2O4S/c2*1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h2*4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)/t2*12-;/m11./s1
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
