pentadecan-3-yl 3-fluoranylbenzoate

Systemtic Name: pentadecan-3-yl 3-fluoranylbenzoate Openeye Name: 1-ethyltridecyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid pentadecan-3-yl ester IUPAC Name: pentadecan-3-yl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid 1-ethyltridecyl ester Formula: C22H35FO2 MolecularWeight: 350.510503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC)OC(=O)C1=CC(=CC=C1)F

Isomeric SMILES

CCCCCCCCCCCCC(CC)OC(=O)C1=CC(=CC=C1)F

InChI

InChI=1S/C22H35FO2/c1-3-5-6-7-8-9-10-11-12-13-17-21(4-2)25-22(24)19-15-14-16-20(23)18-19/h14-16,18,21H,3-13,17H2,1-2H3