octan-2-yl 4-acetyloxy-2-fluoranyl-benzoate

Systemtic Name: octan-2-yl 4-acetyloxy-2-fluoranyl-benzoate Openeye Name: 1-methylheptyl 4-acetoxy-2-fluoro-benzoate CAS Name: 4-acetyloxy-2-fluorobenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-acetyloxy-2-fluorobenzoate Traditional Name: 4-acetoxy-2-fluoro-benzoic acid 1-methylheptyl ester Formula: C17H23FO4 MolecularWeight: 310.360523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=C(C=C(C=C1)OC(=O)C)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=C(C=C(C=C1)OC(=O)C)F

InChI

InChI=1S/C17H23FO4/c1-4-5-6-7-8-12(2)21-17(20)15-10-9-14(11-16(15)18)22-13(3)19/h9-12H,4-8H2,1-3H3