| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C9H11NO2.H2O4S |
| Molecular Weight | 428.457 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.NCCC1=CC=C2OCOC2=C1.NCCC3=CC=C4OCOC4=C3
InChI
InChIKey=UBAJDYDGADCKLW-UHFFFAOYSA-N
InChI=1S/2C9H11NO2.H2O4S/c2*10-4-3-7-1-2-8-9(5-7)12-6-11-8;1-5(2,3)4/h2*1-2,5H,3-4,6,10H2;(H2,1,2,3,4)
| 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 | C9H11NO2 |
| Molecular Weight | 165.1891 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
