4-bromanyl-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine; methyl(triphenyl)phosphanium

Systemtic Name: 4-bromanyl-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine; methyl(triphenyl)phosphanium Openeye Name: 4-bromo-7-(p-tolyl)-2,3-dihydro-1-benzoxepine; methyl(triphenyl)phosphonium CAS Name: 4-bromo-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin; methyl(triphenyl)phosphonium IUPAC Name: 4-bromo-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine; methyl(triphenyl)phosphanium Traditional Name: 4-bromo-7-(p-tolyl)-2,3-dihydro-1-benzoxepin; methyl(triphenyl)phosphonium Formula: C36H33BrOP+ MolecularWeight: 592.524381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18P.C17H15BrO/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-12-2-4-13(5-3-12)14-6-7-17-15(10-14)11-16(18)8-9-19-17/h2-16H,1H3;2-7,10-11H,8-9H2,1H3/q+1;