[2,3-bis(fluoranyl)-4-(octoxymethyl)phenyl] 2-fluoranyl-4-pentyl-benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-(octoxymethyl)phenyl] 2-fluoranyl-4-pentyl-benzoate Openeye Name: [2,3-difluoro-4-(octoxymethyl)phenyl] 2-fluoro-4-pentyl-benzoate CAS Name: 2-fluoro-4-pentylbenzoic acid [2,3-difluoro-4-(octoxymethyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(octoxymethyl)phenyl] 2-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-2-fluoro-benzoic acid [2,3-difluoro-4-(octoxymethyl)phenyl] ester Formula: C27H35F3O3 MolecularWeight: 464.56021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)CCCCC)F)F)F

Isomeric SMILES

CCCCCCCCOCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)CCCCC)F)F)F

InChI

InChI=1S/C27H35F3O3/c1-3-5-7-8-9-11-17-32-19-21-14-16-24(26(30)25(21)29)33-27(31)22-15-13-20(18-23(22)28)12-10-6-4-2/h13-16,18H,3-12,17,19H2,1-2H3