2-(methylamino)ethanoic acid; (E)-octadec-9-enoic acid

Systemtic Name: 2-(methylamino)ethanoic acid; (E)-octadec-9-enoic acid Openeye Name: 2-(methylamino)acetic acid; (E)-octadec-9-enoic acid CAS Name: 2-(methylamino)acetic acid; (E)-9-octadecenoic acid IUPAC Name: 2-(methylamino)acetic acid; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; 2-(methylamino)acetic acid Formula: C21H41NO4 MolecularWeight: 371.55454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CNCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CNCC(=O)O

InChI

InChI=1S/C18H34O2.C3H7NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-2-3(5)6/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,2H2,1H3,(H,5,6)/b10-9+;