KPC
Summary
Name: | (2-[2-KETOPROPYLTHIO]ETHANESULFONATE |
Formula: | C5 H10 O4 S2 |
Formal charge: | 0 |
Formula weight: | 198.26 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-[(2-oxopropyl)sulfanyl]ethanesulfonic acid |
OpenEye OEToolkits | 1.5.0 | 2-(2-oxopropylsulfanyl)ethanesulfonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(O)CCSCC(=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)CSCC[S](O)(=O)=O |
SMILES | CACTVS | 3.341 | CC(=O)CSCC[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)CSCCS(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CSCCS(=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9) |
InChIKey | InChI | 1.03 | CRNXHFXAXBWIRH-UHFFFAOYSA-N |