VZZ
Summary
| Name: | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID |
| Formula: | C12 H22 O4 S |
| Formal charge: | 0 |
| Formula weight: | 262.366 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 11-[(sulfanylcarbonyl)oxy]undecanoic acid |
| OpenEye OEToolkits | 1.5.0 | 11-sulfanylcarbonyloxyundecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCCCCCCCCCCC(=O)O)S |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCCCCCCOC(S)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCCCCCCCCCOC(S)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCCCCOC(=O)S)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCCCCOC(=O)S)CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H22O4S/c13-11(14)9-7-5-3-1-2-4-6-8-10-16-12(15)17/h1-10H2,(H,13,14)(H,15,17) |
| InChIKey | InChI | 1.03 | XSZQJZYGKSSUAF-UHFFFAOYSA-N |
