(E)-docos-13-enamide; octadecanoic acid

Systemtic Name: (E)-docos-13-enamide; octadecanoic acid Openeye Name: (E)-docos-13-enamide; stearic acid CAS Name: (E)-13-docosenamide; octadecanoic acid IUPAC Name: (E)-docos-13-enamide; octadecanoic acid Traditional Name: (E)-docos-13-enamide; stearic acid Formula: C40H79NO3 MolecularWeight: 622.06016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCCCCCC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCCCCCC(=O)N

InChI

InChI=1S/C22H43NO.C18H36O2/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)20/h9-10H,2-8,11-21H2,1H3,(H2,23,24);2-17H2,1H3,(H,19,20)/b10-9+;