(Z)-docos-13-enoic acid; morpholine

Systemtic Name: (Z)-docos-13-enoic acid; morpholine Openeye Name: (Z)-docos-13-enoic acid; morpholine CAS Name: (Z)-13-docosenoic acid; morpholine IUPAC Name: (Z)-docos-13-enoic acid; morpholine Traditional Name: erucic acid; morpholine Formula: C26H51NO3 MolecularWeight: 425.68804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)O.C1COCCN1

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.C1COCCN1

InChI

InChI=1S/C22H42O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-6-4-2-5-1/h9-10H,2-8,11-21H2,1H3,(H,23,24);5H,1-4H2/b10-9-;