1-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-4-heptyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-4-heptyl-cyclohexane-1-carboxylic acid Openeye Name: 1-(2,3-difluoro-4-octoxy-phenyl)-4-heptyl-cyclohexanecarboxylic acid CAS Name: 1-(2,3-difluoro-4-octoxyphenyl)-4-heptyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-(2,3-difluoro-4-octoxyphenyl)-4-heptylcyclohexane-1-carboxylic acid Traditional Name: 1-(2,3-difluoro-4-octoxy-phenyl)-4-heptyl-cyclohexanecarboxylic acid Formula: C28H44F2O3 MolecularWeight: 466.643966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2(CCC(CC2)CCCCCCC)C(=O)O)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2(CCC(CC2)CCCCCCC)C(=O)O)F)F

InChI

InChI=1S/C28H44F2O3/c1-3-5-7-9-11-13-21-33-24-16-15-23(25(29)26(24)30)28(27(31)32)19-17-22(18-20-28)14-12-10-8-6-4-2/h15-16,22H,3-14,17-21H2,1-2H3,(H,31,32)