[4-[2,2,2-tris(fluoranyl)-1-hexoxy-ethyl]phenyl] 4-decoxybenzoate

Systemtic Name: [4-[2,2,2-tris(fluoranyl)-1-hexoxy-ethyl]phenyl] 4-decoxybenzoate Openeye Name: [4-(2,2,2-trifluoro-1-hexoxy-ethyl)phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-(2,2,2-trifluoro-1-hexoxyethyl)phenyl] ester IUPAC Name: [4-(2,2,2-trifluoro-1-hexoxyethyl)phenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-(2,2,2-trifluoro-1-hexoxy-ethyl)phenyl] ester Formula: C31H43F3O4 MolecularWeight: 536.66593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C(F)(F)F)OCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C(F)(F)F)OCCCCCC

InChI

InChI=1S/C31H43F3O4/c1-3-5-7-9-10-11-12-14-23-36-27-19-17-26(18-20-27)30(35)38-28-21-15-25(16-22-28)29(31(32,33)34)37-24-13-8-6-4-2/h15-22,29H,3-14,23-24H2,1-2H3