1-decoxy-4-[4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]phenyl]benzene

Systemtic Name: 1-decoxy-4-[4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]phenyl]benzene Openeye Name: 1-decoxy-4-[4-[1-(trifluoromethyl)heptoxymethyl]phenyl]benzene CAS Name: 1-decoxy-4-[4-(1,1,1-trifluorooctan-2-yloxymethyl)phenyl]benzene IUPAC Name: 1-decoxy-4-[4-(1,1,1-trifluorooctan-2-yloxymethyl)phenyl]benzene Traditional Name: 1-decoxy-4-[4-[1-(trifluoromethyl)heptoxymethyl]phenyl]benzene Formula: C31H45F3O2 MolecularWeight: 506.68301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC(CCCCCC)C(F)(F)F

InChI

InChI=1S/C31H45F3O2/c1-3-5-7-9-10-11-12-14-24-35-29-22-20-28(21-23-29)27-18-16-26(17-19-27)25-36-30(31(32,33)34)15-13-8-6-4-2/h16-23,30H,3-15,24-25H2,1-2H3