ditert-butyl 3,6-bis(oxidanylidene)-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-ium-5,5-dicarboxylate

Systemtic Name: ditert-butyl 3,6-bis(oxidanylidene)-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-ium-5,5-dicarboxylate Openeye Name: ditert-butyl 3,6-dioxo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-ium-5,5-dicarboxylate CAS Name: 3,6-dioxo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-ium-5,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 3,6-dioxo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-ium-5,5-dicarboxylate Traditional Name: 3,6-diketo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-ium-5,5-dicarboxylic acid ditert-butyl ester Formula: C28H29N2O6+ MolecularWeight: 489.53966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(C(=C2C(=C(NC2=O)C3=CC=CC=C3)C1=O)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(C(=C2C(=C(NC2=O)C3=CC=CC=C3)C1=O)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H28N2O6/c1-27(2,3)35-25(33)30(26(34)36-28(4,5)6)22(18-15-11-8-12-16-18)20-19(24(30)32)21(29-23(20)31)17-13-9-7-10-14-17/h7-16H,1-6H3/p+1