2-[[4,7-Dimethoxy-5-[3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;4-hydroxy-4-oxobut-2-enoate
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Basic information
- Standard SMILES
COc1ccc(C=CC(=O)c2c(OCC[NH+](C)C)c(OC)c3occc3c2OC)cc1.O=C([O-])C=CC(=O)O- InChIKey
ONRGIIUCHWIUMG-UHFFFAOYSA-N- Molecular formula
- C28H31NO10
- Average molar mass
- 541.5 g/mol
- Monoisotopic mass
- 541.19479619
Names & identifiers
- Preferred name
- 2-[[4,7-Dimethoxy-5-[3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;4-hydroxy-4-oxobut-2-enoate
- IUPAC
- 2-[[4,7-dimethoxy-5-[3-(4-methoxyphenyl)prop-2-enoyl]-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium;4-hydroxy-4-oxobut-2-enoate
Database identifiers
- PubChem CID
- 33454
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 718
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Compound notes
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