Basic information
- Standard SMILES
COc1ccc(C(=O)O)cc1SSc1cc(C(=O)O)ccc1OC- InChIKey
XTEUUUYBTNBJQR-UHFFFAOYSA-N- Molecular formula
- C16H14O6S2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.02318051
Names & identifiers
- Preferred name
- 3-(5-Carboxy-2-methoxy-phenyldisulfanyl)-4-methoxy-benzoic acid
- IUPAC
- 3-[(5-carboxy-2-methoxyphenyl)disulfanyl]-4-methoxybenzoic acid
Names & synonyms
SCHEMBL1987518XTEUUUYBTNBJQR-UHFFFAOYSA-N3-(5-Carboxy-2-methoxy-phenyldisulfanyl)-4-methoxy-benzoic acid
Database identifiers
- PubChem CID
- 12425751
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Related reactions
4 records
Compound notes
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