N-ethylethanamine; (E)-12-oxidanyloctadec-9-enoic acid

Systemtic Name: N-ethylethanamine; (E)-12-oxidanyloctadec-9-enoic acid Openeye Name: N-ethylethanamine; (E)-12-hydroxyoctadec-9-enoic acid CAS Name: N-ethylethanamine; (E)-12-hydroxy-9-octadecenoic acid IUPAC Name: N-ethylethanamine; (E)-12-hydroxyoctadec-9-enoic acid Traditional Name: diethylamine; (E)-12-hydroxyoctadec-9-enoic acid Formula: C22H45NO3 MolecularWeight: 371.5976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.CCNCC

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)O)O.CCNCC

InChI

InChI=1S/C18H34O3.C4H11N/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-5-4-2/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);5H,3-4H2,1-2H3/b12-9+;