Basic information
- Standard SMILES
CNC.COC(=O)c1cccc(OC)c1S(=O)(=O)O- InChIKey
XMJYNFQEPORWFA-UHFFFAOYSA-N- Molecular formula
- C11H17NO6S
- Average molar mass
- 291.32 g/mol
Names & identifiers
- Preferred name
- 2-Carbomethoxy-6-methoxybenzenesulfonic acid dimethylamine salt
- IUPAC
- 2-methoxy-6-methoxycarbonylbenzenesulfonic acid;N-methylmethanamine
Names & synonyms
SCHEMBL7018332XMJYNFQEPORWFA-UHFFFAOYSA-N2-carbomethoxy-6-methoxybenzenesulfonic acid dimethylamine salt
Database identifiers
- PubChem CID
- 86748596
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
6 records
Compound notes
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