Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate
Basic information
- CAS
88351-08-0- Standard SMILES
CCOC(=O)C=C(C)SP(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
OYUAWWJTKAXTEU-UHFFFAOYSA-N- Molecular formula
- C18H19O5PS
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.06908187
Names & identifiers
- Preferred name
- Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate
- IUPAC
- ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate
Names & synonyms
88351-08-02-Butenoic acid, 3-[(diphenoxyphosphinyl)thio]-, ethyl esterDTXSID70347737Ethyl 3-[(diphenoxyphosphoryl)sulfanyl]but-2-enoate
Database identifiers
- CAS
88351-08-0- PubChem CID
- 625313
- DTXSID
DTXSID70347737
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
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Compound notes
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