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

Systemtic Name: [2,3-bis(fluoranyl)-4-(heptoxymethyl)phenyl] 2-fluoranyl-4-pentyl-benzoate Openeye Name: [2,3-difluoro-4-(heptoxymethyl)phenyl] 2-fluoro-4-pentyl-benzoate CAS Name: 2-fluoro-4-pentylbenzoic acid [2,3-difluoro-4-(heptoxymethyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(heptoxymethyl)phenyl] 2-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-2-fluoro-benzoic acid [2,3-difluoro-4-(heptoxymethyl)phenyl] ester Formula: C26H33F3O3 MolecularWeight: 450.53363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)CCCCC)F)F)F

Isomeric SMILES

CCCCCCCOCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)CCCCC)F)F)F

InChI

InChI=1S/C26H33F3O3/c1-3-5-7-8-10-16-31-18-20-13-15-23(25(29)24(20)28)32-26(30)21-14-12-19(17-22(21)27)11-9-6-4-2/h12-15,17H,3-11,16,18H2,1-2H3