Basic information
- Standard SMILES
CCOC(=O)C(CCSC)[N+](C)=c1sccs1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
CKHUGBHMYSVOHG-UHFFFAOYSA-M- Molecular formula
- C11H18ClNO6S3
- Average molar mass
- 391.9 g/mol
Names & identifiers
- Preferred name
- N-(1,3-dithiol-2-ylidene)-N-methyl-N-(3-methylthio-1-ethoxycarbonylpropyl)ammonium perchlorate
- IUPAC
- 1,3-dithiol-2-ylidene-(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)-methylazanium perchlorate
Names & synonyms
SCHEMBL10516984CKHUGBHMYSVOHG-UHFFFAOYSA-MN-(1,3-dithiol-2-ylidene)-N-methyl-N-(3-methylthio-1-ethoxycarbonylpropyl)ammonium perchlorate
Database identifiers
- PubChem CID
- 20144146
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
1 records
Compound notes
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