docosanoate; octadecan-1-amine

Systemtic Name: docosanoate; octadecan-1-amine Openeye Name: docosanoate; octadecan-1-amine CAS Name: docosanoate; 1-octadecanamine IUPAC Name: docosanoate; octadecan-1-amine Traditional Name: behenate; stearylamine Formula: C40H82NO2- MolecularWeight: 609.08458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCN

InChI

InChI=1S/C22H44O2.C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-21H2,1H3,(H,23,24);2-19H2,1H3/p-1