(5-methoxycarbonylthiophen-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (5-methoxycarbonylthiophen-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-methoxycarbonyl-2-thienyl)methyl-triphenyl-phosphonium bromide CAS Name: (5-methoxycarbonyl-2-thiophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (5-methoxycarbonylthiophen-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (5-carbomethoxy-2-thienyl)methyl-triphenyl-phosphonium bromide Formula: C25H22BrO2PS MolecularWeight: 497.383741

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(S1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H22O2PS.BrH/c1-27-25(26)24-18-17-23(29-24)19-28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-18H,19H2,1H3;1H/q+1;/p-1