(E,E)-(S)-3-(4'-{3-[4-(2-carboxy-2-ethoxy-ethyl)-phenoxy]-1-methyl-propenyl}-biphenyl-3-yl)-but-2-enoic acid
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Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3cccc(/C(C)=C/C(=O)O)c3)cc2)cc1)C(=O)O- InChIKey
YUTXMOJJNAGEOB-FIWGQBEJSA-N- Molecular formula
- C31H32O6
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.21988874
Names & identifiers
- Preferred name
- (E,E)-(S)-3-(4'-{3-[4-(2-carboxy-2-ethoxy-ethyl)-phenoxy]-1-methyl-propenyl}-biphenyl-3-yl)-but-2-enoic acid
- IUPAC
- (E)-3-[3-[4-[(E)-4-[4-[(2S)-2-carboxy-2-ethoxyethyl]phenoxy]but-2-en-2-yl]phenyl]phenyl]but-2-enoic acid
Names & synonyms
SCHEMBL6492172YUTXMOJJNAGEOB-FIWGQBEJSA-N(E,E)-(S)-3-(4'-{3-[4-(2-carboxy-2-ethoxy-ethyl)-phenoxy]-1-methyl-propenyl}-biphenyl-3-yl)-but-2-enoic acid
Database identifiers
- PubChem CID
- 69799649
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 786
Related reactions
2 records
Compound notes
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