[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl-triphenyl-phosphanium bromide Openeye Name: triphenyl-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]phosphonium bromide CAS Name: [7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl-triphenylphosphonium bromide IUPAC Name: [7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl-triphenylphosphanium bromide Traditional Name: triphenyl-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl]phosphonium bromide Formula: C36H32BrOP MolecularWeight: 591.516441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C36H32OP.BrH/c1-28-17-19-30(20-18-28)31-21-22-36-32(26-31)25-29(23-24-37-36)27-38(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35;/h2-22,25-26H,23-24,27H2,1H3;1H/q+1;/p-1