Basic information
- Standard SMILES
CCOC(=S)SCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCCCCCCCCBr)cc5)cc4)c3)cc2)cc1- InChIKey
MYBGKVUMFQCAFO-UHFFFAOYSA-N- Molecular formula
- C61H73BrO11S2
- Average molar mass
- 1,126.3 g/mol
Names & identifiers
- Preferred name
- 4-((3-(4-(4-(12-Bromododecyloxy)benzoyloxy)benzoyloxy)phenoxy)carbonyl)phenyl 4-(12-(ethoxycarbonothioylthio)dodecyloxy)benzoate
- IUPAC
- [4-[3-[4-[4-(12-bromododecoxy)benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-(12-ethoxycarbothioylsulfanyldodecoxy)benzoate
Names & synonyms
SCHEMBL303985MYBGKVUMFQCAFO-UHFFFAOYSA-N4-((3-(4-(4-(12-Bromododecyloxy)benzoyloxy)benzoyloxy)phenoxy)carbonyl)phenyl 4-(12-(ethoxycarbonothioylthio)dodecyloxy)benzoate
Database identifiers
- PubChem CID
- 86651925
Properties
Computed structural properties
- XLogP
- 19.4
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 42
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,550
Related reactions
1 records
Compound notes
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