(E)-3-ethyl-4-fluoranyl-2-methyl-4-pentyl-heptadec-2-enoate

Systemtic Name: (E)-3-ethyl-4-fluoranyl-2-methyl-4-pentyl-heptadec-2-enoate Openeye Name: (E)-3-ethyl-4-fluoro-2-methyl-4-pentyl-heptadec-2-enoate CAS Name: (E)-3-ethyl-4-fluoro-2-methyl-4-pentyl-2-heptadecenoate IUPAC Name: (E)-3-ethyl-4-fluoro-2-methyl-4-pentylheptadec-2-enoate Traditional Name: (E)-4-amyl-3-ethyl-4-fluoro-2-methyl-heptadec-2-enoate Formula: C25H46FO2- MolecularWeight: 397.629943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCC)(C(=C(C)C(=O)[O-])CC)F

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCC)(/C(=C(\C)/C(=O)[O-])/CC)F

InChI

InChI=1S/C25H47FO2/c1-5-8-10-11-12-13-14-15-16-17-19-21-25(26,20-18-9-6-2)23(7-3)22(4)24(27)28/h5-21H2,1-4H3,(H,27,28)/p-1/b23-22+