ethyl 2-propan-2-yloxy-3-pyridin-1-ium-4-yl-propanoate; (E)-octadec-9-enoate

Systemtic Name: ethyl 2-propan-2-yloxy-3-pyridin-1-ium-4-yl-propanoate; (E)-octadec-9-enoate Openeye Name: ethyl 2-isopropoxy-3-pyridin-1-ium-4-yl-propanoate; (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoate; 2-propan-2-yloxy-3-(4-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-propan-2-yloxy-3-pyridin-1-ium-4-ylpropanoate; (E)-octadec-9-enoate Traditional Name: 2-isopropoxy-3-pyridin-1-ium-4-yl-propionic acid ethyl ester; (E)-octadec-9-enoate Formula: C31H53NO5 MolecularWeight: 519.75622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCOC(=O)C(CC1=CC=[NH+]C=C1)OC(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCOC(=O)C(CC1=CC=[NH+]C=C1)OC(C)C

InChI

InChI=1S/C18H34O2.C13H19NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-16-13(15)12(17-10(2)3)9-11-5-7-14-8-6-11/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-8,10,12H,4,9H2,1-3H3/b10-9+;