(4-methyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-diphenyl-(4-phenylfuran-2-yl)phosphanium bromide

Systemtic Name: (4-methyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-diphenyl-(4-phenylfuran-2-yl)phosphanium bromide Openeye Name: (4-methyl-6-oxo-cyclohexa-1,4-dien-1-yl)-diphenyl-(4-phenyl-2-furyl)phosphonium bromide CAS Name: (4-methyl-6-oxo-1-cyclohexa-1,4-dienyl)-diphenyl-(4-phenyl-2-furanyl)phosphonium bromide IUPAC Name: (4-methyl-6-oxocyclohexa-1,4-dien-1-yl)-diphenyl-(4-phenylfuran-2-yl)phosphanium bromide Traditional Name: (6-keto-4-methyl-cyclohexa-1,4-dien-1-yl)-diphenyl-(4-phenyl-2-furyl)phosphonium bromide Formula: C29H24BrO2P MolecularWeight: 515.377421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC(=CO4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC(=O)C(=CC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC(=CO4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H24O2P.BrH/c1-22-17-18-28(27(30)19-22)32(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29-20-24(21-31-29)23-11-5-2-6-12-23;/h2-16,18-21H,17H2,1H3;1H/q+1;/p-1