[2,3-bis(fluoranyl)-4-(4-octoxyphenyl)phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [2,3-bis(fluoranyl)-4-(4-octoxyphenyl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [2,3-difluoro-4-(4-octoxyphenyl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [2,3-difluoro-4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(4-octoxyphenyl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [2,3-difluoro-4-(4-octoxyphenyl)phenyl] ester Formula: C26H33ClF2O3 MolecularWeight: 466.988226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C(C(C)CC)Cl)F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C(C(C)CC)Cl)F)F

InChI

InChI=1S/C26H33ClF2O3/c1-4-6-7-8-9-10-17-31-20-13-11-19(12-14-20)21-15-16-22(25(29)24(21)28)32-26(30)23(27)18(3)5-2/h11-16,18,23H,4-10,17H2,1-3H3