methyl 2-methoxy-6-methyl-3-(trifluoromethylsulfonyloxy)-4-[2-[1,6,8-trimethoxy-9,10-bis(oxidanylidene)-3-(trifluoromethylsulfonyloxy)anthracen-2-yl]ethyl]benzoate

Systemtic Name: methyl 2-methoxy-6-methyl-3-(trifluoromethylsulfonyloxy)-4-[2-[1,6,8-trimethoxy-9,10-bis(oxidanylidene)-3-(trifluoromethylsulfonyloxy)anthracen-2-yl]ethyl]benzoate Openeye Name: methyl 2-methoxy-6-methyl-3-(trifluoromethylsulfonyloxy)-4-[2-[1,6,8-trimethoxy-9,10-dioxo-3-(trifluoromethylsulfonyloxy)-2-anthryl]ethyl]benzoate CAS Name: 2-methoxy-6-methyl-3-(trifluoromethylsulfonyloxy)-4-[2-[1,6,8-trimethoxy-9,10-dioxo-3-(trifluoromethylsulfonyloxy)-2-anthracenyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-6-methyl-3-(trifluoromethylsulfonyloxy)-4-[2-[1,6,8-trimethoxy-9,10-dioxo-3-(trifluoromethylsulfonyloxy)anthracen-2-yl]ethyl]benzoate Traditional Name: 4-[2-(9,10-diketo-1,6,8-trimethoxy-3-triflyloxy-2-anthryl)ethyl]-2-methoxy-6-methyl-3-triflyloxy-benzoic acid methyl ester Formula: C31H26F6O14S2 MolecularWeight: 800.650159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)OC)OC)OS(=O)(=O)C(F)(F)F)CCC2=C(C=C3C(=C2OC)C(=O)C4=C(C=C(C=C4C3=O)OC)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)OC)OC)OS(=O)(=O)C(F)(F)F)CCC2=C(C=C3C(=C2OC)C(=O)C4=C(C=C(C=C4C3=O)OC)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C31H26F6O14S2/c1-13-9-14(26(51-53(43,44)31(35,36)37)28(48-5)21(13)29(40)49-6)7-8-16-19(50-52(41,42)30(32,33)34)12-18-23(27(16)47-4)25(39)22-17(24(18)38)10-15(45-2)11-20(22)46-3/h9-12H,7-8H2,1-6H3