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

Systemtic Name: [(Z)-1-(2,2-dimethylpropanoylamino)-2-methylsulfanyl-ethenyl]-triphenyl-phosphanium iodide Openeye Name: [(Z)-1-(2,2-dimethylpropanoylamino)-2-methylsulfanyl-vinyl]-triphenyl-phosphonium iodide CAS Name: [(Z)-1-[(2,2-dimethyl-1-oxopropyl)amino]-2-(methylthio)ethenyl]-triphenylphosphonium iodide IUPAC Name: [(Z)-1-(2,2-dimethylpropanoylamino)-2-methylsulfanylethenyl]-triphenylphosphanium iodide Traditional Name: [(Z)-2-(methylthio)-1-(pivaloylamino)vinyl]-triphenyl-phosphonium iodide Formula: C26H29INOPS MolecularWeight: 561.457791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)N/C(=C/SC)/[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C26H28NOPS.HI/c1-26(2,3)25(28)27-24(20-30-4)29(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23;/h5-20H,1-4H3;1H/b24-20-;