WV 798
Basic information
- CAS
73771-66-1- Standard SMILES
CC[NH+](CCCl)CCOc1cc(C)c(O)cc1C(C)C.O=S(=O)([O-])c1cccc2c(S(=O)(=O)O)cccc12- InChIKey
FGIRPPYYUKPXNB-UHFFFAOYSA-N- Molecular formula
- C26H34ClNO8S2
- Average molar mass
- 588.1 g/mol
- Monoisotopic mass
- 587.1414371
Names & identifiers
- Preferred name
- WV 798
- IUPAC
- 2-chloroethyl-ethyl-[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl]azanium;5-sulfonaphthalene-1-sulfonate
Names & synonyms
WV 79873771-66-15-(2-(N-(2-Chloroethyl)-N-ethylamino)ethoxy)carvacrol 1,5-naphthalenedisulfonateDTXSID30224156Carvacrol, 5-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, 1,5-naphthalenedisulfonateRefChem:388401DTXCID301466472-Chloro-N-ethyl-N-{2-[4-hydroxy-5-methyl-2-(propan-2-yl)phenoxy]ethyl}ethan-1-aminium 5-sulfonaphthalene-1-sulfonate
Database identifiers
- CAS
73771-66-1- PubChem CID
- 52428
- DTXSID
DTXSID30224156
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 747
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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