Basic information
- CAS
7501-33-9- Standard SMILES
Cc1ccc2cccc(CCc3cccc4c(C)cccc34)c2c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O- InChIKey
LXRGFWFJQGHBLP-UHFFFAOYSA-N- Molecular formula
- C30H25N3O8
- Average molar mass
- 555.5 g/mol
- Monoisotopic mass
- 555.16416476
Names & identifiers
- Preferred name
- 1-Methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene;2,4,6-trinitrobenzene-1,3-diol
- IUPAC
- 1-methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene;2,4,6-trinitrobenzene-1,3-diol
Names & synonyms
7501-33-9NSC406459DTXSID50324344NSC-4064592,4,6-Trinitrobenzene-1,3-diol--1-methyl-5-[2-(7-methylnaphthalen-1-yl)ethyl]naphthalene (1/1)
Database identifiers
- CAS
7501-33-9- PubChem CID
- 347668
- DTXSID
DTXSID50324344
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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