[3-acetyloxy-2-(4-bromophenyl)-4,6-diphenyl-1,4,5-triaza-2-azonia-3-boranuidacyclohexa-1,5-dien-3-yl] ethanoate

Systemtic Name: [3-acetyloxy-2-(4-bromophenyl)-4,6-diphenyl-1,4,5-triaza-2-azonia-3-boranuidacyclohexa-1,5-dien-3-yl] ethanoate Openeye Name: [3-acetoxy-2-(4-bromophenyl)-4,6-diphenyl-1,4,5-triaza-2-azonia-3-boranuidacyclohexa-1,5-dien-3-yl] acetate CAS Name: acetic acid [3-acetyloxy-2-(4-bromophenyl)-4,6-diphenyl-1,4,5-triaza-2-azonia-3-boranuidacyclohexa-1,5-dien-3-yl] ester IUPAC Name: [3-acetyloxy-2-(4-bromophenyl)-4,6-diphenyl-1,4,5-triaza-2-azonia-3-boranuidacyclohexa-1,5-dien-3-yl] acetate Traditional Name: acetic acid [3-acetoxy-2-(4-bromophenyl)-4,6-diphenyl-1,4,5-triaza-2-azonia-3-boranuidacyclohexa-1,5-dien-3-yl] ester Formula: C23H20BBrN4O4 MolecularWeight: 507.1443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-]1(N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4)(OC(=O)C)OC(=O)C

Isomeric SMILES

[B-]1(N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4)(OC(=O)C)OC(=O)C

InChI

InChI=1S/C23H20BBrN4O4/c1-17(30)32-24(33-18(2)31)28(21-11-7-4-8-12-21)26-23(19-9-5-3-6-10-19)27-29(24)22-15-13-20(25)14-16-22/h3-16H,1-2H3