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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-tris(4-methoxyphenyl)phosphanium bromide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl-tris(4-methoxyphenyl)phosphonium bromide CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethyl-tris(4-methoxyphenyl)phosphonium bromide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl-tris(4-methoxyphenyl)phosphanium bromide Traditional Name: tris(4-methoxyphenyl)-(2-phthalimidoethyl)phosphonium bromide Formula: C31H29BrNO5P MolecularWeight: 606.443421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[P+](CCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)[P+](CCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC.[Br-]

InChI

InChI=1S/C31H29NO5P.BrH/c1-35-22-8-14-25(15-9-22)38(26-16-10-23(36-2)11-17-26,27-18-12-24(37-3)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