Basic information
- CAS
5427-77-0- Standard SMILES
CCCCN(CCCC)c1ccc(Cc2ccc(N(C)C)c(Cl)c2)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
LVOOFNDYDFHPCA-UHFFFAOYSA-N- Molecular formula
- C46H49ClN2O6
- Average molar mass
- 761.3 g/mol
- Monoisotopic mass
- 760.327915
Names & identifiers
- Preferred name
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(dibutylamino)phenyl]methyl]-N,N-dimethylaniline
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(dibutylamino)phenyl]methyl]-N,N-dimethylaniline
Names & synonyms
5427-77-0NSC13101DTXSID30279540NSC-131014,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--2-chloro-4-{[4-(dibutylamino)phenyl]methyl}-N,N-dimethylaniline (1/1)
Database identifiers
- CAS
5427-77-0- PubChem CID
- 224546
- DTXSID
DTXSID30279540
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 926
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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