3-ethylheptan-2-yl 4-fluoranylbenzoate

Systemtic Name: 3-ethylheptan-2-yl 4-fluoranylbenzoate Openeye Name: (2-ethyl-1-methyl-hexyl) 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 3-ethylheptan-2-yl ester IUPAC Name: 3-ethylheptan-2-yl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (2-ethyl-1-methyl-hexyl) ester Formula: C16H23FO2 MolecularWeight: 266.351023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FO2/c1-4-6-7-13(5-2)12(3)19-16(18)14-8-10-15(17)11-9-14/h8-13H,4-7H2,1-3H3