Basic information
- Standard SMILES
CCOC(=O)c1cc(C#Cc2ccc(S(=O)(=O)O)cc2)ccc1O- InChIKey
PVFFXTSAYSCYPK-UHFFFAOYSA-N- Molecular formula
- C17H14O6S
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- 4-[2-(3-Ethoxycarbonyl-4-hydroxyphenyl)ethynyl]benzenesulfonic acid
- IUPAC
- 4-[2-(3-ethoxycarbonyl-4-hydroxyphenyl)ethynyl]benzenesulfonic acid
Names & synonyms
SCHEMBL27431635
Database identifiers
- PubChem CID
- 19423402
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 600
Related reactions
1 records
Compound notes
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