(E)-octadec-9-enoate; propan-2-ylazanium

Systemtic Name: (E)-octadec-9-enoate; propan-2-ylazanium Openeye Name: isopropylammonium; (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoate; propan-2-ylammonium IUPAC Name: (E)-octadec-9-enoate; propan-2-ylazanium Traditional Name: isopropylammonium; (E)-octadec-9-enoate Formula: C21H43NO2 MolecularWeight: 341.57162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CC(C)[NH3+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CC(C)[NH3+]

InChI

InChI=1S/C18H34O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(2)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3H,4H2,1-2H3/b10-9+;