Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester
Basic information
- CAS
97209-92-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1- InChIKey
YXZNZYJRWIXIJH-UHFFFAOYSA-N- Molecular formula
- C33H50O10
- Average molar mass
- 606.7 g/mol
- Monoisotopic mass
- 606.34039779
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-tris(acetyloxy)-, 4-((1-oxohexadecyl)oxo)butyl ester
- IUPAC
- 4-hexadecanoyloxybutyl 3,4,5-triacetyloxybenzoate
Names & synonyms
BRN 5684969BENZOIC ACID, 3,4,5-TRIS(ACETYLOXY)-, 4-((1-OXOHEXADECYL)OXO)BUTYL ESTERO-Palmitoyl-O-(3,4,5-triacetoxybenzoyl)butane-1,4-diol97209-92-2DTXSID502427763,4,5-Tris(acetyloxy)benzoic acid 4-((1-oxohexadecyl)oxo)butyl esterRefChem:327014DTXCID801652674-(Hexadecanoyloxy)butyl 3,4,5-tris(acetyloxy)benzoate
Database identifiers
- CAS
97209-92-2- PubChem CID
- 57182
- DTXSID
DTXSID50242776
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 28
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 801
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Compound notes
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