Basic information
- Standard SMILES
CCCC(CCc1ccccc1)(CC(O)C(C(=O)OC)C(CC)c1cccc([N+](=O)[O-])c1)OCOc1ccc(-c2ccccc2)cc1- InChIKey
JTDXSNGBXBTUKS-UHFFFAOYSA-N- Molecular formula
- C39H45NO7
- Average molar mass
- 639.8 g/mol
Names & identifiers
- Preferred name
- 4-Carbomethoxy-3-(3-nitrophenyl)-7-(2-phenylethyl)-7-[(4-phenylphenoxy)methoxy]decan-5-ol
- IUPAC
- methyl 3-hydroxy-2-[1-(3-nitrophenyl)propyl]-5-(2-phenylethyl)-5-[(4-phenylphenoxy)methoxy]octanoate
Names & synonyms
SCHEMBL6902474JTDXSNGBXBTUKS-UHFFFAOYSA-N4-Carbomethoxy-3-(3-nitrophenyl)-7-(2-phenylethyl)-7-[(4-phenylphenoxy)methoxy]decan-5-ol
Database identifiers
- PubChem CID
- 21183124
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 905
Related reactions
3 records
Compound notes
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