| Stereochemistry | ACHIRAL |
| Molecular Formula | C24H33N3O4S.3H2O.H2O4S |
| Molecular Weight | 611.726 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.OS(O)(=O)=O.COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(CN3CCCC3)=C(O)C(CN4CCCC4)=C2
InChI
InChIKey=XRPLNQWCUWWLGG-UHFFFAOYSA-N
InChI=1S/C24H33N3O4S.H2O4S.3H2O/c1-31-22-6-8-23(9-7-22)32(29,30)25-16-19-14-20(17-26-10-2-3-11-26)24(28)21(15-19)18-27-12-4-5-13-27;1-5(2,3)4;;;/h6-9,14-15,25,28H,2-5,10-13,16-18H2,1H3;(H2,1,2,3,4);3*1H2
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
MOL RATIO
3 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C24H33N3O4S |
| Molecular Weight | 459.602 |
| 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 | 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 |
