| Stereochemistry | ABSOLUTE |
| Molecular Formula | C7H15NO3.C7H8O3S |
| Molecular Weight | 333.401 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@H](N)C(=O)OCCO.CC1=CC=C(C=C1)S(O)(=O)=O
InChI
InChIKey=KIQNQGPNCRYWKY-RGMNGODLSA-N
InChI=1S/C7H15NO3.C7H8O3S/c1-5(2)6(8)7(10)11-4-3-9;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,3-4,8H2,1-2H3;2-5H,1H3,(H,8,9,10)/t6-;/m0./s1
| Molecular Formula | C7H15NO3 |
| Molecular Weight | 161.1989 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| 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 |
