Basic information
- CAS
97209-93-3- Standard SMILES
COc1cc(C(=O)OCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC- InChIKey
NJAAEHLJHJCXQM-UHFFFAOYSA-N- Molecular formula
- C22H26O10
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.15259702
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester
- IUPAC
- 2-(3,4,5-trimethoxybenzoyl)oxyethyl 3,4,5-trimethoxybenzoate
Names & synonyms
BRN 5662594BENZOIC ACID, 3,4,5-TRIMETHOXY-, 1,2-ETHANEDIYL ESTERDi-O-(3,4,5-trimethoxybenzoyl)ethylene glycol3,4,5-Trimethoxybenzoic acid 1,2-ethanediyl ester97209-93-3DTXSID10242777RefChem:326988DTXCID40165268Ethane-1,2-diyl bis(3,4,5-trimethoxybenzoate)
Database identifiers
- CAS
97209-93-3- PubChem CID
- 57183
- DTXSID
DTXSID10242777- Nikkaji
- J2.037.250H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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