1-[2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)phenoxy]propyl pentanoate

Systemtic Name: 1-[2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)phenoxy]propyl pentanoate Openeye Name: 1-[2,3-difluoro-4-(4-heptoxyphenyl)phenoxy]propyl pentanoate CAS Name: pentanoic acid 1-[2,3-difluoro-4-(4-heptoxyphenyl)phenoxy]propyl ester IUPAC Name: 1-[2,3-difluoro-4-(4-heptoxyphenyl)phenoxy]propyl pentanoate Traditional Name: valeric acid 1-[2,3-difluoro-4-(4-heptoxyphenyl)phenoxy]propyl ester Formula: C27H36F2O4 MolecularWeight: 462.569146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(CC)OC(=O)CCCC)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(CC)OC(=O)CCCC)F)F

InChI

InChI=1S/C27H36F2O4/c1-4-7-9-10-11-19-31-21-15-13-20(14-16-21)22-17-18-23(27(29)26(22)28)32-25(6-3)33-24(30)12-8-5-2/h13-18,25H,4-12,19H2,1-3H3