tert-butyl 2-methyl-1,3-bis(oxidanylidene)-8-phenylmethoxy-4-[2-(trifluoromethylsulfonyloxy)phenoxy]pyrrolo[3,4-c]carbazole-6-carboxylate

Systemtic Name: tert-butyl 2-methyl-1,3-bis(oxidanylidene)-8-phenylmethoxy-4-[2-(trifluoromethylsulfonyloxy)phenoxy]pyrrolo[3,4-c]carbazole-6-carboxylate Openeye Name: tert-butyl 8-benzyloxy-2-methyl-1,3-dioxo-4-[2-(trifluoromethylsulfonyloxy)phenoxy]pyrrolo[3,4-c]carbazole-6-carboxylate CAS Name: 2-methyl-1,3-dioxo-8-phenylmethoxy-4-[2-(trifluoromethylsulfonyloxy)phenoxy]-6-pyrrolo[3,4-c]carbazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-1,3-dioxo-8-phenylmethoxy-4-[2-(trifluoromethylsulfonyloxy)phenoxy]pyrrolo[3,4-c]carbazole-6-carboxylate Traditional Name: 8-benzoxy-1,3-diketo-2-methyl-4-(2-triflyloxyphenoxy)pyrrolo[3,4-c]carbazole-6-carboxylic acid tert-butyl ester Formula: C34H27F3N2O9S MolecularWeight: 696.64639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC(=C3C(=C2C4=C1C=C(C=C4)OCC5=CC=CC=C5)C(=O)N(C3=O)C)OC6=CC=CC=C6OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC(=C3C(=C2C4=C1C=C(C=C4)OCC5=CC=CC=C5)C(=O)N(C3=O)C)OC6=CC=CC=C6OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C34H27F3N2O9S/c1-33(2,3)47-32(42)39-22-16-20(45-18-19-10-6-5-7-11-19)14-15-21(22)27-23(39)17-26(28-29(27)31(41)38(4)30(28)40)46-24-12-8-9-13-25(24)48-49(43,44)34(35,36)37/h5-17H,18H2,1-4H3