[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] 4-hexylcyclohexane-1-carboxylate

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [4-(2,3-difluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-octoxyphenyl)phenyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] ester Formula: C33H46F2O3 MolecularWeight: 528.713346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCC)F)F

InChI

InChI=1S/C33H46F2O3/c1-3-5-7-9-10-12-24-37-30-23-22-29(31(34)32(30)35)26-18-20-28(21-19-26)38-33(36)27-16-14-25(15-17-27)13-11-8-6-4-2/h18-23,25,27H,3-17,24H2,1-2H3