Basic information
- Standard SMILES
CCCCCCCCOC(=O)c1cccc2sc3ccccc3c(=O)c12- InChIKey
SSRVUDCRPCCCMV-UHFFFAOYSA-N- Molecular formula
- C22H24O3S
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.1446158
Names & identifiers
- Preferred name
- Octyl 9-oxothioxanthene-1-carboxylate
- IUPAC
- octyl 9-oxothioxanthene-1-carboxylate
Names & synonyms
SCHEMBL10988815
Database identifiers
- PubChem CID
- 20403679
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 478
Related reactions
1 records
Compound notes
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