1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, lithium salt (1:1)
Basic information
- CAS
68823-78-9- Standard SMILES
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1.[Li+]- InChIKey
AVPYUFDQTKOBNG-UHFFFAOYSA-M- Molecular formula
- C10H9LiO7S
- Average molar mass
- 280.2 g/mol
- Monoisotopic mass
- 280.02290223
Names & identifiers
- Preferred name
- 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, lithium salt (1:1)
- IUPAC
- lithium 3,5-bis(methoxycarbonyl)benzenesulfonate
Names & synonyms
68823-78-91,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, lithium salt (1:1)Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, monolithium salt1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, lithium saltRefChem:72438DTXSID80101084SCHEMBL472702AVPYUFDQTKOBNG-UHFFFAOYSA-M
Database identifiers
- CAS
68823-78-9- PubChem CID
- 23717232
- Nikkaji
- J141.696K
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, lithium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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