2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl-triphenyl-phosphonium bromide Formula: C28H27BrNO2P MolecularWeight: 520.397241

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H27NO2P.BrH/c30-27-25-18-10-11-19-26(25)28(31)29(27)20-21-32(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h1-17,25-26H,18-21H2;1H/q+1;/p-1