1-(3-Methylphenoxy)-4-[4-(3-methylphenoxy)-3-nitrophenyl]sulfonyl-2-nitrobenzene
Basic information
- CAS
41016-19-7- Standard SMILES
Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C)c4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1- InChIKey
IYZADIRMNSYPCX-UHFFFAOYSA-N- Molecular formula
- C26H20N2O8S
- Average molar mass
- 520.5 g/mol
- Monoisotopic mass
- 520.09403677
Names & identifiers
- Preferred name
- 1-(3-Methylphenoxy)-4-[4-(3-methylphenoxy)-3-nitrophenyl]sulfonyl-2-nitrobenzene
- IUPAC
- 1-(3-methylphenoxy)-4-[4-(3-methylphenoxy)-3-nitrophenyl]sulfonyl-2-nitrobenzene
Names & synonyms
41016-19-7NSC141679DTXSID40961383NSC-1416791,1'-{Sulfonylbis[(2-nitro-4,1-phenylene)oxy]}bis(3-methylbenzene)
Database identifiers
- CAS
41016-19-7- PubChem CID
- 285065
- DTXSID
DTXSID40961383
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 832
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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