1,1,5,5-tetraphenyl-1,5-diphosphocane-1,5-diium-3-one dichloride

Systemtic Name: 1,1,5,5-tetraphenyl-1,5-diphosphocane-1,5-diium-3-one dichloride Openeye Name: 1,1,5,5-tetraphenyl-1,5-diphosphocane-1,5-diium-3-one dichloride CAS Name: 1,1,5,5-tetraphenyl-1,5-diphosphocane-1,5-diium-3-one dichloride IUPAC Name: 1,1,5,5-tetraphenyl-1,5-diphosphocane-1,5-diium-3-one dichloride Traditional Name: 1,1,5,5-tetraphenyl-1,5-diphosphocane-1,5-diium-3-one dichloride Formula: C30H30Cl2OP2 MolecularWeight: 539.412122

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Descriptors Computed from Structure

Canonical SMILES:

C1C[P+](CC(=O)C[P+](C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-].[Cl-]

Isomeric SMILES

C1C[P+](CC(=O)C[P+](C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-].[Cl-]

InChI

InChI=1S/C30H30OP2.2ClH/c31-26-24-32(27-14-5-1-6-15-27,28-16-7-2-8-17-28)22-13-23-33(25-26,29-18-9-3-10-19-29)30-20-11-4-12-21-30;;/h1-12,14-21H,13,22-25H2;2*1H/q+2;;/p-2