2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(5-methyl-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(5-methyl-1,3-dioxo-2-isoindolyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(1,3-diketo-5-methyl-isoindolin-2-yl)ethyl-triphenyl-phosphonium bromide Formula: C29H25BrNO2P MolecularWeight: 530.392061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H25NO2P.BrH/c1-22-17-18-26-27(21-22)29(32)30(28(26)31)19-20-33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-18,21H,19-20H2,1H3;1H/q+1;/p-1