Basic information
- CAS
7651-27-6- Standard SMILES
CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)O)cc1NC(=O)c1ccc2ccccc2c1O- InChIKey
UGGBEBIJLHFSIP-UHFFFAOYSA-N- Molecular formula
- C36H52N2O5S
- Average molar mass
- 624.9 g/mol
- Monoisotopic mass
- 624.35969394
Names & identifiers
- Preferred name
- 3-((1-Hydroxy-2-naphthyl)carbamoyl)-4-(methyloctadecyl)benzenesulphonic acid
- IUPAC
- 3-[(1-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid
Names & synonyms
7651-27-6EINECS 231-610-73-((1-Hydroxy-2-naphthyl)carbamoyl)-4-(methyloctadecyl)benzenesulphonic acidDTXSID00997880UGGBEBIJLHFSIP-UHFFFAOYSA-NAKOS024429342NS000468291-Hydroxy-N-{2-[methyl(octadecyl)amino]-5-sulfophenyl}naphthalene-2-carboximidic acid3-((HO-NAPHTHALENE-CARBONYL)-AMINO)-4-(ME-OCTADECYL-AMINO)-BENZENESULFONIC ACID3-(1-HYDROXY-2-NAPHTHAMIDO)-4-(N-METHYL-N-OCTADECYLAMINO)BENZENESULFONIC ACID
Database identifiers
- CAS
7651-27-6- PubChem CID
- 82102
- DTXSID
DTXSID00997880- EC Number
- 231-610-7
- Nikkaji
- J307.906F
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 893
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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