Basic information
- Standard SMILES
C=CC(=O)OCCCCOCC(O)COC(=O)COc1ccc2sc3ccccc3c(=O)c2c1- InChIKey
DITANIBJFGAIGL-UHFFFAOYSA-N- Molecular formula
- C25H26O8S
- Average molar mass
- 486.5 g/mol
Names & identifiers
- Preferred name
- acrylic acid 4-{2-hydroxy-3-[2-(9-oxo-9H-thioxanthen-2-yloxy)-acetoxy]-propoxy}-butyl ester
- IUPAC
- 4-[2-hydroxy-3-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxypropoxy]butyl prop-2-enoate
Names & synonyms
SCHEMBL12380008DITANIBJFGAIGL-UHFFFAOYSA-Nacrylic acid 4-{2-hydroxy-3-[2-(9-oxo-9H-thioxanthen-2-yloxy)-acetoxy]-propoxy}-butyl ester
Database identifiers
- PubChem CID
- 58325515
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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