Basic information
- CAS
7404-80-0- Standard SMILES
CC(=O)C1=C(C)CCC(CCC2([N+](=O)[O-])CCC(C)=C(C(C)=O)C2)([N+](=O)[O-])C1- InChIKey
LSYLXJKNHAOQKI-UHFFFAOYSA-N- Molecular formula
- C20H28N2O6
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.19473662
Names & identifiers
- Preferred name
- 1,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)
- IUPAC
- 1-[5-[2-(3-acetyl-4-methyl-1-nitrocyclohex-3-en-1-yl)ethyl]-2-methyl-5-nitrocyclohexen-1-yl]ethanone
Names & synonyms
7404-80-0NSC403128DTXSID90323134NSC-4031281,1'-[Ethane-1,2-diylbis(6-methyl-3-nitrocyclohex-6-ene-3,1-diyl)]di(ethan-1-one)
Database identifiers
- CAS
7404-80-0- PubChem CID
- 345487
- DTXSID
DTXSID90323134
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 719
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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