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

Systemtic Name: 1-(2-octyl-3,4-dihydro-2H-thiochromen-6-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 1-(2-octylthiochroman-6-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 1-(2-octyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethyl-triphenylphosphonium bromide IUPAC Name: 1-(2-octyl-3,4-dihydro-2H-thiochromen-6-yl)ethyl-triphenylphosphanium bromide Traditional Name: 1-(2-octylthiochroman-6-yl)ethyl-triphenyl-phosphonium bromide Formula: C37H44BrPS MolecularWeight: 631.688021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC2=C(S1)C=CC(=C2)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCCCCCCCC1CCC2=C(S1)C=CC(=C2)C(C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C37H44PS.BrH/c1-3-4-5-6-7-17-24-36-27-25-32-29-31(26-28-37(32)39-36)30(2)38(33-18-11-8-12-19-33,34-20-13-9-14-21-34)35-22-15-10-16-23-35;/h8-16,18-23,26,28-30,36H,3-7,17,24-25,27H2,1-2H3;1H/q+1;/p-1