6,6-dibutyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide

Systemtic Name: 6,6-dibutyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide Openeye Name: 6,6-dibutyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide CAS Name: 6,6-dibutyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide IUPAC Name: 6,6-dibutyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide Traditional Name: 6,6-dibutyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide Formula: C22H30BrP MolecularWeight: 405.351361

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+]1(CC2=CC=CC=C2C3=CC=CC=C3C1)CCCC.[Br-]

Isomeric SMILES

CCCC[P+]1(CC2=CC=CC=C2C3=CC=CC=C3C1)CCCC.[Br-]

InChI

InChI=1S/C22H30P.BrH/c1-3-5-15-23(16-6-4-2)17-19-11-7-9-13-21(19)22-14-10-8-12-20(22)18-23;/h7-14H,3-6,15-18H2,1-2H3;1H/q+1;/p-1