1-[2-fluoranyl-4-(4-nonanoylphenyl)phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[2-fluoranyl-4-(4-nonanoylphenyl)phenoxy]propan-2-yl pentanoate Openeye Name: [2-[2-fluoro-4-(4-nonanoylphenyl)phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[2-fluoro-4-[4-(1-oxononyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[2-fluoro-4-(4-nonanoylphenyl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[2-fluoro-4-(4-pelargonylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C29H39FO4 MolecularWeight: 470.615963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

Isomeric SMILES

CCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCCC)F

InChI

InChI=1S/C29H39FO4/c1-4-6-8-9-10-11-12-27(31)24-16-14-23(15-17-24)25-18-19-28(26(30)20-25)33-21-22(3)34-29(32)13-7-5-2/h14-20,22H,4-13,21H2,1-3H3