6,6-di(butan-2-yl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide

Systemtic Name: 6,6-di(butan-2-yl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide Openeye Name: 6,6-disec-butyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide CAS Name: 6,6-di(butan-2-yl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide IUPAC Name: 6,6-di(butan-2-yl)-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide Traditional Name: 6,6-disec-butyl-5,7-dihydrobenzo[d][2]benzophosphepin-6-ium bromide Formula: C22H30BrP MolecularWeight: 405.351361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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