Basic information
- Standard SMILES
COc1cc(CS(=O)(=O)c2cccc3ccccc23)c([N+](=O)[O-])c(OCCCl)c1- InChIKey
QGLFGSRURAWXHF-UHFFFAOYSA-N- Molecular formula
- C20H18ClNO6S
- Average molar mass
- 435.9 g/mol
Names & identifiers
- Preferred name
- 1-[3-(2-Chloro-ethoxy)-5-methoxy-2-nitro-phenylmethanesulfonyl]-naphthalene
- IUPAC
- 1-[[3-(2-chloroethoxy)-5-methoxy-2-nitrophenyl]methylsulfonyl]naphthalene
Names & synonyms
SCHEMBL3535704QGLFGSRURAWXHF-UHFFFAOYSA-N1-[3-(2-Chloro-ethoxy)-5-methoxy-2-nitro-phenylmethanesulfonyl]-naphthalene
Database identifiers
- PubChem CID
- 68680431
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 648
Related reactions
4 records
Compound notes
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