24,24-bis(oxidanyl)hexatetracontan-23-ylazanium chloride

Systemtic Name: 24,24-bis(oxidanyl)hexatetracontan-23-ylazanium chloride Openeye Name: (1-docosyl-2,2-dihydroxy-tetracosyl)ammonium chloride CAS Name: 24,24-dihydroxyhexatetracontan-23-ylammonium chloride IUPAC Name: 24,24-dihydroxyhexatetracontan-23-ylazanium chloride Traditional Name: (1-behenyl-2,2-dihydroxy-tetracosyl)ammonium chloride Formula: C46H96ClNO2 MolecularWeight: 730.71294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC)(O)O)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC)(O)O)[NH3+].[Cl-]

InChI

InChI=1S/C46H95NO2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45(47)46(48,49)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h45,48-49H,3-44,47H2,1-2H3;1H