2,2'-(1,4-Phenylenedi-2,1-vinylene)bis(5-nitrobenzenesulphonic) acid
Basic information
- CAS
84963-08-6- Standard SMILES
O=[N+]([O-])c1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3S(=O)(=O)O)cc2)c(S(=O)(=O)O)c1- InChIKey
JGADOQWVDADWOI-KQQUZDAGSA-N- Molecular formula
- C22H16N2O10S2
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.02463706
Names & identifiers
- Preferred name
- 2,2'-(1,4-Phenylenedi-2,1-vinylene)bis(5-nitrobenzenesulphonic) acid
- IUPAC
- 5-nitro-2-[(E)-2-[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]ethenyl]benzenesulfonic acid
Names & synonyms
EINECS 284-810-12,2'-(1,4-Phenylenedi-2,1-vinylene)bis(5-nitrobenzenesulphonic) acid84963-08-6JGADOQWVDADWOI-KQQUZDAGSA-N
Database identifiers
- CAS
84963-08-6- PubChem CID
- 102438348
- EC Number
- 284-810-1
- Nikkaji
- J309.538J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 972
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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