[(Z)-1-benzamido-3-methoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-en-2-yl]-triphenyl-phosphanium iodide

Systemtic Name: [(Z)-1-benzamido-3-methoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-en-2-yl]-triphenyl-phosphanium iodide Openeye Name: [(Z)-2-benzamido-1-methoxycarbonyl-2-methylsulfanyl-vinyl]-triphenyl-phosphonium iodide CAS Name: [(Z)-1-benzamido-3-methoxy-1-(methylthio)-3-oxoprop-1-en-2-yl]-triphenylphosphonium iodide IUPAC Name: [(Z)-1-benzamido-3-methoxy-1-methylsulfanyl-3-oxoprop-1-en-2-yl]-triphenylphosphanium iodide Traditional Name: [(Z)-2-benzamido-1-carbomethoxy-2-(methylthio)vinyl]-triphenyl-phosphonium iodide Formula: C30H27INO3PS MolecularWeight: 639.483511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC(=O)C1=CC=CC=C1)SC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

COC(=O)/C(=C(\NC(=O)C1=CC=CC=C1)/SC)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C30H26NO3PS.HI/c1-34-30(33)27(29(36-2)31-28(32)23-15-7-3-8-16-23)35(24-17-9-4-10-18-24,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,1-2H3;1H