1-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 1-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(2-ethylthiochroman-6-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(2-ethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(2-ethylthiochroman-6-yl)ethyl-triphenyl-phosphonium bromide Formula: C31H32BrPS MolecularWeight: 547.528541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(S1)C=CC(=C2)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCC1CCC2=C(S1)C=CC(=C2)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H32PS.BrH/c1-3-30-21-19-26-23-25(20-22-31(26)33-30)24(2)32(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-18,20,22-24,30H,3,19,21H2,1-2H3;1H/q+1;/p-1