[2,5-bis(fluoranyl)-6-(2-fluoranylethanoyl)-4-hexyl-3-oxidanyl-phenyl] octadecanoate

Systemtic Name: [2,5-bis(fluoranyl)-6-(2-fluoranylethanoyl)-4-hexyl-3-oxidanyl-phenyl] octadecanoate Openeye Name: [2,5-difluoro-6-(2-fluoroacetyl)-4-hexyl-3-hydroxy-phenyl] octadecanoate CAS Name: octadecanoic acid [2,5-difluoro-6-(2-fluoro-1-oxoethyl)-4-hexyl-3-hydroxyphenyl] ester IUPAC Name: [2,5-difluoro-6-(2-fluoroacetyl)-4-hexyl-3-hydroxyphenyl] octadecanoate Traditional Name: stearic acid [2,5-difluoro-6-(2-fluoroacetyl)-4-hexyl-3-hydroxy-phenyl] ester Formula: C32H51F3O4 MolecularWeight: 556.74015

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1F)O)CCCCCC)F)C(=O)CF

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1F)O)CCCCCC)F)C(=O)CF

InChI

InChI=1S/C32H51F3O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-27(37)39-32-28(26(36)24-33)29(34)25(31(38)30(32)35)22-20-8-6-4-2/h38H,3-24H2,1-2H3