Tetramethylenebis(p-nitrobenzenesulfonate)
Basic information
- CAS
10154-67-3- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)OCCCCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
IHDDYQPZDSDOCZ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O10S2
- Average molar mass
- 460.4 g/mol
- Monoisotopic mass
- 460.02463706
Names & identifiers
- Preferred name
- Tetramethylenebis(p-nitrobenzenesulfonate)
- IUPAC
- 4-(4-nitrophenyl)sulfonyloxybutyl 4-nitrobenzenesulfonate
Names & synonyms
Tetramethylenebis(p-nitrobenzenesulfonate)10154-67-3NSC92605NSC 92605Benzenesulfonic acid, 4-nitro-, 1,4-butanediyl esterDTXSID80143989Benzenesulfonic acid, 4-nitro-, 1,4-butanediyl ester (9CI)NSC-92605Butane-1,4-diyl bis(4-nitrobenzene-1-sulfonate)
Database identifiers
- CAS
10154-67-3- PubChem CID
- 96901
- DTXSID
DTXSID80143989
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 708
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Compound notes
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