1-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)ethyl-triphenyl-phosphanium

Systemtic Name: 1-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)ethyl-triphenyl-phosphanium Openeye Name: 1-(4,4-dimethylthiochroman-7-yl)ethyl-triphenyl-phosphonium CAS Name: 1-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)ethyl-triphenylphosphonium IUPAC Name: 1-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)ethyl-triphenylphosphanium Traditional Name: 1-(4,4-dimethylthiochroman-7-yl)ethyl-triphenyl-phosphonium Formula: C31H32PS+ MolecularWeight: 467.624541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(CCS2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(CCS2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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