tridecan-3-yl 4-fluoranylbenzoate

Systemtic Name: tridecan-3-yl 4-fluoranylbenzoate Openeye Name: 1-ethylundecyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid tridecan-3-yl ester IUPAC Name: tridecan-3-yl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 1-ethylundecyl ester Formula: C20H31FO2 MolecularWeight: 322.457343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31FO2/c1-3-5-6-7-8-9-10-11-12-19(4-2)23-20(22)17-13-15-18(21)16-14-17/h13-16,19H,3-12H2,1-2H3