(5-tert-butyl-1,3-dithian-2-yl)-methyl-diphenyl-phosphanium chloride

Systemtic Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-diphenyl-phosphanium chloride Openeye Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-diphenyl-phosphonium chloride CAS Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-diphenylphosphonium chloride IUPAC Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-diphenylphosphanium chloride Traditional Name: (5-tert-butyl-1,3-dithian-2-yl)-methyl-diphenyl-phosphonium chloride Formula: C21H28ClPS2 MolecularWeight: 411.003781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CSC(SC1)[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)(C)C1CSC(SC1)[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H28PS2.ClH/c1-21(2,3)17-15-23-20(24-16-17)22(4,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,17,20H,15-16H2,1-4H3;1H/q+1;/p-1