5-ethylheptan-2-yl 4-acetyloxy-2-fluoranyl-benzoate

Systemtic Name: 5-ethylheptan-2-yl 4-acetyloxy-2-fluoranyl-benzoate Openeye Name: (4-ethyl-1-methyl-hexyl) 4-acetoxy-2-fluoro-benzoate CAS Name: 4-acetyloxy-2-fluorobenzoic acid 5-ethylheptan-2-yl ester IUPAC Name: 5-ethylheptan-2-yl 4-acetyloxy-2-fluorobenzoate Traditional Name: 4-acetoxy-2-fluoro-benzoic acid (4-ethyl-1-methyl-hexyl) ester Formula: C18H25FO4 MolecularWeight: 324.387103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC(C)OC(=O)C1=C(C=C(C=C1)OC(=O)C)F

Isomeric SMILES

CCC(CC)CCC(C)OC(=O)C1=C(C=C(C=C1)OC(=O)C)F

InChI

InChI=1S/C18H25FO4/c1-5-14(6-2)8-7-12(3)22-18(21)16-10-9-15(11-17(16)19)23-13(4)20/h9-12,14H,5-8H2,1-4H3