[2-(2-methoxy-2-oxidanylidene-ethoxy)cyclohepten-1-yl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(2-methoxy-2-oxidanylidene-ethoxy)cyclohepten-1-yl]-triphenyl-phosphanium bromide Openeye Name: [2-(2-methoxy-2-oxo-ethoxy)cyclohepten-1-yl]-triphenyl-phosphonium bromide CAS Name: [2-(2-methoxy-2-oxoethoxy)-1-cycloheptenyl]-triphenylphosphonium bromide IUPAC Name: [2-(2-methoxy-2-oxoethoxy)cyclohepten-1-yl]-triphenylphosphanium bromide Traditional Name: [2-(2-keto-2-methoxy-ethoxy)cyclohepten-1-yl]-triphenyl-phosphonium bromide Formula: C28H30BrO3P MolecularWeight: 525.413761

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(CCCCC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)COC1=C(CCCCC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H30O3P.BrH/c1-30-28(29)22-31-26-20-12-5-13-21-27(26)32(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25-18-10-4-11-19-25;/h2-4,6-11,14-19H,5,12-13,20-22H2,1H3;1H/q+1;/p-1