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Basic information
- Standard SMILES
COP(=S)(Cc1ccc2cccc(C(=O)OC(C)(C)C)c2c1)OC- InChIKey
UAYREHUCPIYJKU-UHFFFAOYSA-N- Molecular formula
- C18H23O4PS
- Average molar mass
- 366.4 g/mol
Names & identifiers
- Preferred name
- 7-(Dimethoxythiophosphorylmethyl) naphthalene-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 7-(dimethoxyphosphinothioylmethyl)naphthalene-1-carboxylate
Names & synonyms
SCHEMBL6303858UAYREHUCPIYJKU-UHFFFAOYSA-N7-(dimethoxythiophosphorylmethyl) naphthalene-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69736276
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
1 records
Compound notes
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