3-chloranyl-4-fluoranyl-octadecanoic acid

Systemtic Name: 3-chloranyl-4-fluoranyl-octadecanoic acid Openeye Name: 3-chloro-4-fluoro-octadecanoic acid CAS Name: 3-chloro-4-fluorooctadecanoic acid IUPAC Name: 3-chloro-4-fluorooctadecanoic acid Traditional Name: 3-chloro-4-fluoro-stearic acid Formula: C18H34ClFO2 MolecularWeight: 336.912763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CC(=O)O)Cl)F

Isomeric SMILES

CCCCCCCCCCCCCCC(C(CC(=O)O)Cl)F

InChI

InChI=1S/C18H34ClFO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(19)15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)