(2-ethyl-5-methoxy-4-methyl-thiophen-3-yl)-triphenyl-phosphanium bromide

Systemtic Name: (2-ethyl-5-methoxy-4-methyl-thiophen-3-yl)-triphenyl-phosphanium bromide Openeye Name: (2-ethyl-5-methoxy-4-methyl-3-thienyl)-triphenyl-phosphonium bromide CAS Name: (2-ethyl-5-methoxy-4-methyl-3-thiophenyl)-triphenylphosphonium bromide IUPAC Name: (2-ethyl-5-methoxy-4-methylthiophen-3-yl)-triphenylphosphanium bromide Traditional Name: (2-ethyl-5-methoxy-4-methyl-3-thienyl)-triphenyl-phosphonium bromide Formula: C26H26BrOPS MolecularWeight: 497.426801

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)OC)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCC1=C(C(=C(S1)OC)C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H26OPS.BrH/c1-4-24-25(20(2)26(27-3)29-24)28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23;/h5-19H,4H2,1-3H3;1H/q+1;/p-1