8-methyl-2,2,5-triphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium bromide

Systemtic Name: 8-methyl-2,2,5-triphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium bromide Openeye Name: 8-methyl-2,2,5-triphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium bromide CAS Name: 8-methyl-2,2,5-triphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium bromide IUPAC Name: 8-methyl-2,2,5-triphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium bromide Traditional Name: 8-methyl-2,2,5-triphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium bromide Formula: C29H28BrP MolecularWeight: 487.410381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC[P+](C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC[P+](C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H28P.BrH/c1-23-17-18-28-25(21-23)22-30(26-13-7-3-8-14-26,27-15-9-4-10-16-27)20-19-29(28)24-11-5-2-6-12-24;/h2-18,21,29H,19-20,22H2,1H3;1H/q+1;/p-1