azane; (E)-octadec-9-enoic acid; prop-1-ene

Systemtic Name: azane; (E)-octadec-9-enoic acid; prop-1-ene Openeye Name: ammonia; (E)-octadec-9-enoic acid; prop-1-ene CAS Name: ammonia; (E)-9-octadecenoic acid; 1-propene IUPAC Name: azane; (E)-octadec-9-enoic acid; prop-1-ene Traditional Name: ammonia; elaidic acid; prop-1-ene Formula: C21H46N2O2 MolecularWeight: 358.60214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CC=C.N.N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CC=C.N.N

InChI

InChI=1S/C18H34O2.C3H6.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-2;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,1H2,2H3;2*1H3/b10-9+;;;