1-Naphthalenesulfonic acid, 3,6-dinonyl-
Basic information
- CAS
364342-84-7- Standard SMILES
CCCCCCCCCc1ccc2c(S(=O)(=O)O)cc(CCCCCCCCC)cc2c1- InChIKey
WOJDFUWWKJARLI-UHFFFAOYSA-N- Molecular formula
- C28H44O3S
- Average molar mass
- 460.7 g/mol
- Monoisotopic mass
- 460.30111643
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 3,6-dinonyl-
- IUPAC
- 3,6-di(nonyl)naphthalene-1-sulfonic acid
Names & synonyms
1-Naphthalenesulfonic acid, 3,6-dinonyl-364342-84-73,6-dinonylnaphthalene-1-sulfonic Acid3,6-di(nonyl)naphthalene-1-sulfonic acidSCHEMBL15744777SCHEMBL29406310DTXSID60275555
Database identifiers
- CAS
364342-84-7- PubChem CID
- 49903
- DTXSID
DTXSID60275555- Nikkaji
- J189.174J
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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