2-(3-bromanylpropyl)isoindole-1,3-dione; triphenylphosphanium; bromide

Systemtic Name: 2-(3-bromanylpropyl)isoindole-1,3-dione; triphenylphosphanium; bromide Openeye Name: 2-(3-bromopropyl)isoindoline-1,3-dione; triphenylphosphonium; bromide CAS Name: 2-(3-bromopropyl)isoindole-1,3-dione; triphenylphosphonium; bromide IUPAC Name: 2-(3-bromopropyl)isoindole-1,3-dione; triphenylphosphanium; bromide Traditional Name: 2-(3-bromopropyl)isoindoline-1,3-quinone; triphenylphosphonium; bromide Formula: C29H26Br2NO2P MolecularWeight: 611.304001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr.[Br-]

InChI

InChI=1S/C18H15P.C11H10BrNO2.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15;/h1-15H;1-2,4-5H,3,6-7H2;1H