Basic information
- CAS
653588-56-8- Standard SMILES
O=C(O)CS(=O)(=O)c1ccc(-c2cccc3ccccc23)cc1- InChIKey
TZCMDOXOJQDBBZ-UHFFFAOYSA-N- Molecular formula
- C18H14O4S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.0612801
Names & identifiers
- Preferred name
- 2-(4-Naphthalen-1-ylphenyl)sulfonylacetic acid
- IUPAC
- 2-(4-naphthalen-1-ylphenyl)sulfonylacetic acid
Names & synonyms
2-(4-naphthalen-1-ylphenyl)sulfonylacetic acidCHEMBL177214653588-56-8Acetic acid, [[4-(1-naphthalenyl)phenyl]sulfonyl]-DTXSID80333646BDBM501379312-[4-(1-naphthyl)phenyl]sulfonylacetic acid(4-Naphthalen-1-yl-benzenesulfonyl)-acetic acid[4-(Naphthalen-1-yl)benzene-1-sulfonyl]acetic acid
Database identifiers
- CAS
653588-56-8- PubChem CID
- 515142
- DTXSID
DTXSID80333646- ChEMBL
CHEMBL177214
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…