Basic information
- CAS
30057-62-6- Standard SMILES
CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)CC)cc1- InChIKey
MVZDLEUUUPJJKI-UHFFFAOYSA-N- Molecular formula
- C17H27NO4S
- Average molar mass
- 341.5 g/mol
- Monoisotopic mass
- 341.16607952
Names & identifiers
- Preferred name
- Octyl [4-(ethanesulfonyl)phenyl]carbamate
- IUPAC
- octyl N-(4-ethylsulfonylphenyl)carbamate
Names & synonyms
30057-62-6NSC107169Octyl [4-(ethanesulfonyl)phenyl]carbamateDTXSID50952469NSC-107169
Database identifiers
- CAS
30057-62-6- PubChem CID
- 267635
- DTXSID
DTXSID50952469
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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