Basic information
- Standard SMILES
CCCCCCCC[C@H](C)Oc1ccc(-c2ccc(C(=O)OC)cc2)cc1[N+](=O)[O-]- InChIKey
LYTMYJPLYMEFGX-SFHVURJKSA-N- Molecular formula
- C24H31NO5
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.22022309
Names & identifiers
- Preferred name
- (S)-Methyl-4'-(1-methylnonyloxy)-3'-(nitro)-4-biphenylcarboxylate
- IUPAC
- methyl 4-[4-[(2S)-decan-2-yl]oxy-3-nitrophenyl]benzoate
Names & synonyms
SCHEMBL7164836LYTMYJPLYMEFGX-SFHVURJKSA-N(S)-Methyl-4'-(1-methylnonyloxy)-3'-(nitro)-4-biphenylcarboxylate
Database identifiers
- PubChem CID
- 54059652
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 512
Related reactions
4 records
Compound notes
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