tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-methylsulfanyl-phenyl-phosphanium chloride

Systemtic Name: tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-methylsulfanyl-phenyl-phosphanium chloride Openeye Name: tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-methylsulfanyl-phenyl-phosphonium chloride CAS Name: tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-(methylthio)-phenylphosphonium chloride IUPAC Name: tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-methylsulfanyl-phenylphosphanium chloride Traditional Name: tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-(methylthio)-phenyl-phosphonium chloride Formula: C21H31ClO2P2S MolecularWeight: 444.935162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=O)(C1=CC=CC=C1)O[P+](C2=CC=CC=C2)(C(C)(C)C)SC.[Cl-]

Isomeric SMILES

CC(C)(C)P(=O)(C1=CC=CC=C1)O[P+](C2=CC=CC=C2)(C(C)(C)C)SC.[Cl-]

InChI

InChI=1S/C21H31O2P2S.ClH/c1-20(2,3)24(22,18-14-10-8-11-15-18)23-25(26-7,21(4,5)6)19-16-12-9-13-17-19;/h8-17H,1-7H3;1H/q+1;/p-1