2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-tris(4-methylphenyl)phosphanium bromide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-tris(4-methylphenyl)phosphanium bromide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl-tris(p-tolyl)phosphonium bromide CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethyl-tris(4-methylphenyl)phosphonium bromide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl-tris(4-methylphenyl)phosphanium bromide Traditional Name: 2-phthalimidoethyl(tris-p-tolyl)phosphonium bromide Formula: C31H29BrNO2P MolecularWeight: 558.445221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[P+](CCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=C(C=C4)C)C5=CC=C(C=C5)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[P+](CCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=C(C=C4)C)C5=CC=C(C=C5)C.[Br-]

InChI

InChI=1S/C31H29NO2P.BrH/c1-22-8-14-25(15-9-22)35(26-16-10-23(2)11-17-26,27-18-12-24(3)13-19-27)21-20-32-30(33)28-6-4-5-7-29(28)31(32)34;/h4-19H,20-21H2,1-3H3;1H/q+1;/p-1