Basic information
- Standard SMILES
CCCCc1cc2cc(NS(C)(=O)=O)ccc2o1.[Ca]- InChIKey
CGDZSPPMQPQBEU-UHFFFAOYSA-N- Molecular formula
- C13H17CaNO3S
- Average molar mass
- 307.42 g/mol
Names & identifiers
- Preferred name
- 2-Butyl-5-methanesulfonamido-benzofuran calcium salt
Names & synonyms
CGDZSPPMQPQBEU-UHFFFAOYSA-N2-butyl-5-methanesulfonamido-benzofuran calcium salt
Database identifiers
- PubChem CID
- 67322339
Properties
Computed structural properties
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
1 records
Compound notes
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