[4-(4-octan-2-yloxyphenyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-octan-2-yloxyphenyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[4-(1-methylheptoxy)phenyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(4-octan-2-yloxyphenyl)phenyl] ester IUPAC Name: [4-(4-octan-2-yloxyphenyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[4-(1-methylheptoxy)phenyl]phenyl] ester Formula: C21H25F3O4S MolecularWeight: 430.48101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H25F3O4S/c1-3-4-5-6-7-16(2)27-19-12-8-17(9-13-19)18-10-14-20(15-11-18)28-29(25,26)21(22,23)24/h8-16H,3-7H2,1-2H3