[5-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [5-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [5-[(E)-2-(5-nitro-2-thienyl)vinyl]-2-thienyl]methyl-triphenyl-phosphonium bromide CAS Name: [5-[(E)-2-(5-nitro-2-thiophenyl)ethenyl]-2-thiophenyl]methyl-triphenylphosphonium bromide IUPAC Name: [5-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [5-[(E)-2-(5-nitro-2-thienyl)vinyl]-2-thienyl]methyl-triphenyl-phosphonium bromide Formula: C29H23BrNO2PS2 MolecularWeight: 592.506181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=C(S2)C=CC3=CC=C(S3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(S2)/C=C/C3=CC=C(S3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H23NO2PS2.BrH/c31-30(32)29-21-20-27(35-29)17-16-26-18-19-28(34-26)22-33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-21H,22H2;1H/q+1;/p-1/b17-16+;