6-(pentacosan-13-ylazaniumyl)hexanoate

Systemtic Name: 6-(pentacosan-13-ylazaniumyl)hexanoate Openeye Name: 6-(1-dodecyltridecylammonio)hexanoate CAS Name: 6-(pentacosan-13-ylammonio)hexanoate IUPAC Name: 6-(pentacosan-13-ylazaniumyl)hexanoate Traditional Name: 6-(1-lauryltridecylammonio)hexanoate Formula: C31H63NO2 MolecularWeight: 481.83742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)[NH2+]CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)[NH2+]CCCCCC(=O)[O-]

InChI

InChI=1S/C31H63NO2/c1-3-5-7-9-11-13-15-17-19-22-26-30(32-29-25-21-24-28-31(33)34)27-23-20-18-16-14-12-10-8-6-4-2/h30,32H,3-29H2,1-2H3,(H,33,34)