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

Systemtic Name: [(Z)-3-(2-azanylbenzimidazol-1-yl)-1,4-diethoxy-1-oxidanyl-4-oxidanylidene-but-1-en-2-yl]-triphenyl-phosphanium Openeye Name: [(1Z)-2-(2-aminobenzimidazol-1-yl)-3-ethoxy-1-[ethoxy(hydroxy)methylene]-3-oxo-propyl]-triphenyl-phosphonium CAS Name: [(Z)-3-(2-amino-1-benzimidazolyl)-1,4-diethoxy-1-hydroxy-4-oxobut-1-en-2-yl]-triphenylphosphonium IUPAC Name: [(Z)-3-(2-aminobenzimidazol-1-yl)-1,4-diethoxy-1-hydroxy-4-oxobut-1-en-2-yl]-triphenylphosphanium Traditional Name: [(Z)-1-[1-(2-aminobenzimidazol-1-yl)-2-ethoxy-2-keto-ethyl]-2-ethoxy-2-hydroxy-vinyl]-triphenyl-phosphonium Formula: C33H33N3O4P+ MolecularWeight: 566.606581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32N3O4P/c1-3-39-31(37)29(36-28-23-15-14-22-27(28)35-33(36)34)30(32(38)40-4-2)41(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-23,29H,3-4H2,1-2H3,(H2-,34,35,38)/p+1/b32-30-