[1-[1-methoxy-8-methyl-12-oxidanylidene-6-(trifluoromethylsulfonyloxy)-10H-benzo[b][1,5]benzodioxocin-2-yl]-3-methyl-butyl] methanoate

Systemtic Name: [1-[1-methoxy-8-methyl-12-oxidanylidene-6-(trifluoromethylsulfonyloxy)-10H-benzo[b][1,5]benzodioxocin-2-yl]-3-methyl-butyl] methanoate Openeye Name: [1-[1-methoxy-8-methyl-12-oxo-6-(trifluoromethylsulfonyloxy)-10H-benzo[b][1,5]benzodioxocin-2-yl]-3-methyl-butyl] formate CAS Name: formic acid [1-[1-methoxy-8-methyl-12-oxo-6-(trifluoromethylsulfonyloxy)-10H-benzo[b][1,5]benzodioxocin-2-yl]-3-methylbutyl] ester IUPAC Name: [1-[1-methoxy-8-methyl-12-oxo-6-(trifluoromethylsulfonyloxy)-10H-benzo[b][1,5]benzodioxocin-2-yl]-3-methylbutyl] formate Traditional Name: formic acid [1-(12-keto-1-methoxy-8-methyl-6-triflyloxy-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methyl-butyl] ester Formula: C23H23F3O9S MolecularWeight: 532.48353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)OC=O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)OC=O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C23H23F3O9S/c1-12(2)7-17(33-11-27)15-5-6-16-19(21(15)31-4)22(28)32-10-14-8-13(3)9-18(20(14)34-16)35-36(29,30)23(24,25)26/h5-6,8-9,11-12,17H,7,10H2,1-4H3