trifluoromethyl 2-[4-[4-methylsulfanyl-3,5-bis(2,4,6-trimethylphenyl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanylethanoate

Systemtic Name: trifluoromethyl 2-[4-[4-methylsulfanyl-3,5-bis(2,4,6-trimethylphenyl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanylethanoate Openeye Name: trifluoromethyl 2-[4-[4-methylsulfanyl-3,5-bis(2,4,6-trimethylphenyl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanylacetate CAS Name: 2-[[4-[4-(methylthio)-3,5-bis(2,4,6-trimethylphenyl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)phenyl]thio]acetic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 2-[4-[4-methylsulfanyl-3,5-bis(2,4,6-trimethylphenyl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)phenyl]sulfanylacetate Traditional Name: 2-[[4-[3,5-dimesityl-4-(methylthio)phenyl]-2,6-dimesityl-phenyl]thio]acetic acid trifluoromethyl ester Formula: C52H53F3O2S2 MolecularWeight: 831.10123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CC(=CC(=C2SC)C3=C(C=C(C=C3C)C)C)C4=CC(=C(C(=C4)C5=C(C=C(C=C5C)C)C)SCC(=O)OC(F)(F)F)C6=C(C=C(C=C6C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CC(=CC(=C2SC)C3=C(C=C(C=C3C)C)C)C4=CC(=C(C(=C4)C5=C(C=C(C=C5C)C)C)SCC(=O)OC(F)(F)F)C6=C(C=C(C=C6C)C)C)C

InChI

InChI=1S/C52H53F3O2S2/c1-27-14-31(5)46(32(6)15-27)41-22-39(23-42(50(41)58-13)47-33(7)16-28(2)17-34(47)8)40-24-43(48-35(9)18-29(3)19-36(48)10)51(59-26-45(56)57-52(53,54)55)44(25-40)49-37(11)20-30(4)21-38(49)12/h14-25H,26H2,1-13H3