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

Systemtic Name: 1-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethyl-triphenyl-phosphanium Openeye Name: 1-(2-ethylthiochroman-6-yl)ethyl-triphenyl-phosphonium CAS Name: 1-(2-ethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethyl-triphenylphosphonium IUPAC Name: 1-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)ethyl-triphenylphosphanium Traditional Name: 1-(2-ethylthiochroman-6-yl)ethyl-triphenyl-phosphonium Formula: C31H32PS+ MolecularWeight: 467.624541

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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

Isomeric SMILES

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

InChI

InChI=1S/C31H32PS/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/q+1