HSP
Summary
| Name: | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID |
| Formula: | C10 H15 O5 P S |
| Formal charge: | 0 |
| Formula weight: | 278.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {4-[(R)-(2-hydroxyphenyl)sulfinyl]butyl}phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | 4-[(R)-(2-hydroxyphenyl)sulfinyl]butylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(c1ccccc1O)CCCCP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | FFIGWLBWBXCVHW-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1[S@](=O)CCCC[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | Oc1ccccc1[S](=O)CCCC[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1ccc(c(c1)O)S(=O)CCCCP(=O)(O)O |
