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sodium; 4-chloranyl-3,5-dimethyl-phenol; tetradecane-1-sulfonate

sodium; 4-chloranyl-3,5-dimethyl-phenol; tetradecane-1-sulfonate

Systemtic Name:sodium; 4-chloranyl-3,5-dimethyl-phenol; tetradecane-1-sulfonate
Openeye Name:sodium; 4-chloro-3,5-dimethyl-phenol; tetradecane-1-sulfonate
CAS Name:sodium; 4-chloro-3,5-dimethylphenol; 1-tetradecanesulfonate
IUPAC Name:sodium; 4-chloro-3,5-dimethylphenol; tetradecane-1-sulfonate
Traditional Name:sodium; 4-chloro-3,5-dimethyl-phenol; tetradecane-1-sulfonate
Formula: C22H38ClNaO4S
MolecularWeight: 457.04249
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)[O-].CC1=CC(=CC(=C1Cl)C)O.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)[O-].CC1=CC(=CC(=C1Cl)C)O.[Na+]


InChI

InChI=1S/C14H30O3S.C8H9ClO.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;1-5-3-7(10)4-6(2)8(5)9;/h2-14H2,1H3,(H,15,16,17);3-4,10H,1-2H3;/q;;+1/p-1


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