(4-hexanoylphenyl) 4-decoxy-3-fluoranyl-benzoate

Systemtic Name: (4-hexanoylphenyl) 4-decoxy-3-fluoranyl-benzoate Openeye Name: (4-hexanoylphenyl) 4-decoxy-3-fluoro-benzoate CAS Name: 4-decoxy-3-fluorobenzoic acid [4-(1-oxohexyl)phenyl] ester IUPAC Name: (4-hexanoylphenyl) 4-decoxy-3-fluorobenzoate Traditional Name: 4-decoxy-3-fluoro-benzoic acid (4-caproylphenyl) ester Formula: C29H39FO4 MolecularWeight: 470.615963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CCCCC)F

InChI

InChI=1S/C29H39FO4/c1-3-5-7-8-9-10-11-13-21-33-28-20-17-24(22-26(28)30)29(32)34-25-18-15-23(16-19-25)27(31)14-12-6-4-2/h15-20,22H,3-14,21H2,1-2H3