PDB CCD ID: | IFS |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H21 O3 P S |
InChI: | InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3 |
InChIKey: | JFZVPWMZPZJUTE-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | CC(C)OP(=O)(c1ccccc1CS)OC(C)C | ACDLabs 11.02 | O=P(OC(C)C)(OC(C)C)c1ccccc1CS | CACTVS 3.352 | CC(C)O[P](=O)(OC(C)C)c1ccccc1CS |
|
Name: | bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate; Diisopropyl 2-(sulfanylmethyl)phenylphosphonate |
ChEMBL: | CHEMBL1173337 |
ZINC: | ZINC000053296834 |