[4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]phenyl] 2-phenyl-5-undec-10-enoxy-benzoate

Systemtic Name: [4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]phenyl] 2-phenyl-5-undec-10-enoxy-benzoate Openeye Name: [4-[1-(trifluoromethyl)heptoxymethyl]phenyl] 2-phenyl-5-undec-10-enoxy-benzoate CAS Name: 2-phenyl-5-undec-10-enoxybenzoic acid [4-(1,1,1-trifluorooctan-2-yloxymethyl)phenyl] ester IUPAC Name: [4-(1,1,1-trifluorooctan-2-yloxymethyl)phenyl] 2-phenyl-5-undec-10-enoxybenzoate Traditional Name: 2-phenyl-5-undec-10-enoxy-benzoic acid [4-[1-(trifluoromethyl)heptoxymethyl]phenyl] ester Formula: C39H49F3O4 MolecularWeight: 638.79917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OCC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)OCCCCCCCCCC=C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(F)(F)F)OCC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)OCCCCCCCCCC=C)C3=CC=CC=C3

InChI

InChI=1S/C39H49F3O4/c1-3-5-7-9-10-11-12-13-18-28-44-34-26-27-35(32-19-15-14-16-20-32)36(29-34)38(43)46-33-24-22-31(23-25-33)30-45-37(39(40,41)42)21-17-8-6-4-2/h3,14-16,19-20,22-27,29,37H,1,4-13,17-18,21,28,30H2,2H3