[4-(4-decoxy-3-fluoranyl-phenyl)phenyl] nonanoate

Systemtic Name: [4-(4-decoxy-3-fluoranyl-phenyl)phenyl] nonanoate Openeye Name: [4-(4-decoxy-3-fluoro-phenyl)phenyl] nonanoate CAS Name: nonanoic acid [4-(4-decoxy-3-fluorophenyl)phenyl] ester IUPAC Name: [4-(4-decoxy-3-fluorophenyl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(4-decoxy-3-fluoro-phenyl)phenyl] ester Formula: C31H45FO3 MolecularWeight: 484.685603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC)F

InChI

InChI=1S/C31H45FO3/c1-3-5-7-9-11-12-14-16-24-34-30-23-20-27(25-29(30)32)26-18-21-28(22-19-26)35-31(33)17-15-13-10-8-6-4-2/h18-23,25H,3-17,24H2,1-2H3