butan-2-ylazanium; N-octadecanoyl-N-oxidanyl-octadecanamide; ethanoate

Systemtic Name: butan-2-ylazanium; N-octadecanoyl-N-oxidanyl-octadecanamide; ethanoate Openeye Name: N-hydroxy-N-octadecanoyl-octadecanamide; sec-butylammonium; acetate CAS Name: butan-2-ylammonium; N-hydroxy-N-(1-oxooctadecyl)octadecanamide; acetate IUPAC Name: butan-2-ylazanium; N-hydroxy-N-octadecanoyloctadecanamide; acetate Traditional Name: N-hydroxy-N-stearoyl-stearamide; sec-butylammonium; acetate Formula: C42H86N2O5 MolecularWeight: 699.14264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(C(=O)CCCCCCCCCCCCCCCCC)O.CCC(C)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(C(=O)CCCCCCCCCCCCCCCCC)O.CCC(C)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C36H71NO3.C4H11N.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(38)37(40)36(39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-4(2)5;1-2(3)4/h40H,3-34H2,1-2H3;4H,3,5H2,1-2H3;1H3,(H,3,4)