| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H14NO5S3.Na |
| Molecular Weight | 371.428 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SC(S[C@@H]3CC[S@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O
InChI
InChIKey=MRHMJKHFABHUKB-PJCXSJFNSA-M
InChI=1S/C12H15NO5S3.Na/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6;/h5-7,10,14H,2-4H2,1H3,(H,16,17);/q;+1/p-1/t5-,6-,7+,10-,21+;/m1./s1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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 | C12H14NO5S3 |
| Molecular Weight | 348.438 |
| Charge | -1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
