| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C7H5O3.2C5H14NO.Mg.O4S.4H2O |
| Molecular Weight | 674.996 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.[Mg++].[O-]S([O-])(=O)=O.C[N+](C)(C)CCO.C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC2=CC=CC=C2C([O-])=O
InChI
InChIKey=GQVWFGYYMWLERN-UHFFFAOYSA-J
InChI=1S/2C7H6O3.2C5H14NO.Mg.H2O4S.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-6(2,3)4-5-7;;1-5(2,3)4;;;;/h2*1-4,8H,(H,9,10);2*7H,4-5H2,1-3H3;;(H2,1,2,3,4);4*1H2/q;;2*+1;+2;;;;;/p-4
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
MOL RATIO
4 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Mg |
| Molecular Weight | 24.305 |
| Charge | 2 |
| 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 | C5H14NO |
| Molecular Weight | 104.1708 |
| Charge | 1 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| 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 |
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.1207 |
| 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 |
