[(Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-bis[(2-methylpropan-2-yl)oxy]-1-oxidanyl-4-oxidanylidene-but-1-en-2-yl]-triphenyl-phosphanium

Systemtic Name: [(Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-bis[(2-methylpropan-2-yl)oxy]-1-oxidanyl-4-oxidanylidene-but-1-en-2-yl]-triphenyl-phosphanium Openeye Name: [(1Z)-2-(2-aminobenzimidazol-1-yl)-3-tert-butoxy-1-[tert-butoxy(hydroxy)methylene]-3-oxo-propyl]-triphenyl-phosphonium CAS Name: [(Z)-3-(2-amino-1-benzimidazolyl)-1-hydroxy-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxobut-1-en-2-yl]-triphenylphosphonium IUPAC Name: [(Z)-3-(2-aminobenzimidazol-1-yl)-1-hydroxy-1,4-bis[(2-methylpropan-2-yl)oxy]-4-oxobut-1-en-2-yl]-triphenylphosphanium Traditional Name: [(Z)-1-[1-(2-aminobenzimidazol-1-yl)-2-tert-butoxy-2-keto-ethyl]-2-tert-butoxy-2-hydroxy-vinyl]-triphenyl-phosphonium Formula: C37H41N3O4P+ MolecularWeight: 622.712901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=C(O)OC(C)(C)C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5N=C4N

Isomeric SMILES

CC(C)(C)OC(=O)C(/C(=C(\O)/OC(C)(C)C)/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C5=CC=CC=C5N=C4N

InChI

InChI=1S/C37H40N3O4P/c1-36(2,3)43-33(41)31(40-30-25-17-16-24-29(30)39-35(40)38)32(34(42)44-37(4,5)6)45(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-25,31H,1-6H3,(H2-,38,39,42)/p+1/b34-32-