[1-(4-octadecoxyphenyl)-2-phenyl-ethyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [1-(4-octadecoxyphenyl)-2-phenyl-ethyl] tris(fluoranyl)methanesulfonate Openeye Name: [1-(4-octadecoxyphenyl)-2-phenyl-ethyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-(4-octadecoxyphenyl)-2-phenylethyl] ester IUPAC Name: [1-(4-octadecoxyphenyl)-2-phenylethyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-phenyl-1-(4-stearyloxyphenyl)ethyl] ester Formula: C33H49F3O4S MolecularWeight: 598.79997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C33H49F3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-39-31-25-23-30(24-26-31)32(28-29-21-18-17-19-22-29)40-41(37,38)33(34,35)36/h17-19,21-26,32H,2-16,20,27-28H2,1H3