[1-(2,2-dimethylpropanoylamino)-2-ethylsulfanyl-ethenyl]-triphenyl-phosphanium iodide

Systemtic Name: [1-(2,2-dimethylpropanoylamino)-2-ethylsulfanyl-ethenyl]-triphenyl-phosphanium iodide Openeye Name: [1-(2,2-dimethylpropanoylamino)-2-ethylsulfanyl-vinyl]-triphenyl-phosphonium iodide CAS Name: [1-[(2,2-dimethyl-1-oxopropyl)amino]-2-(ethylthio)ethenyl]-triphenylphosphonium iodide IUPAC Name: [1-(2,2-dimethylpropanoylamino)-2-ethylsulfanylethenyl]-triphenylphosphanium iodide Traditional Name: [2-(ethylthio)-1-(pivaloylamino)vinyl]-triphenyl-phosphonium iodide Formula: C27H31INOPS MolecularWeight: 575.484371

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Descriptors Computed from Structure

Canonical SMILES:

CCSC=C(NC(=O)C(C)(C)C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCSC=C(NC(=O)C(C)(C)C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C27H30NOPS.HI/c1-5-31-21-25(28-26(29)27(2,3)4)30(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24;/h6-21H,5H2,1-4H3;1H