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

Systemtic Name: [2,3-bis(fluoranyl)-4-(octoxymethyl)phenyl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: [2,3-difluoro-4-(octoxymethyl)phenyl] 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid [2,3-difluoro-4-(octoxymethyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(octoxymethyl)phenyl] 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid [2,3-difluoro-4-(octoxymethyl)phenyl] ester Formula: C29H39F3O3 MolecularWeight: 492.61337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39F3O3/c1-3-5-7-9-11-13-19-34-21-23-16-18-26(28(32)27(23)31)35-29(33)24-17-15-22(20-25(24)30)14-12-10-8-6-4-2/h15-18,20H,3-14,19,21H2,1-2H3