Basic information
- Standard SMILES
CCCCOP(=O)(CCCOCc1ccccc1)COS(=O)(=O)c1ccc(Cl)cc1- InChIKey
ZECQPIHWDUFAFF-UHFFFAOYSA-N- Molecular formula
- C21H28ClO6PS
- Average molar mass
- 474.9 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxypropyl-(4-chlorobenzenesulfonyloxymethyl)phosphinic acid, n-butyl ester
- IUPAC
- [butoxy(3-phenylmethoxypropyl)phosphoryl]methyl 4-chlorobenzenesulfonate
Names & synonyms
ZECQPIHWDUFAFF-UHFFFAOYSA-N3-benzyloxypropyl-(4-chlorobenzenesulfonyloxymethyl)phosphinic acid, n-butyl ester
Database identifiers
- PubChem CID
- 86752195
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 609
Related reactions
2 records
Compound notes
Loading…