3,5-ditert-butyl-2,3-dihydro-1H-1,2,4-triphosphole; 3,5-ditert-butyl-1,2,4-triphospholane; nickel; oxoazanide; tricyclohexylphosphanium

Systemtic Name: 3,5-ditert-butyl-2,3-dihydro-1H-1,2,4-triphosphole; 3,5-ditert-butyl-1,2,4-triphospholane; nickel; oxoazanide; tricyclohexylphosphanium Openeye Name: 3,5-ditert-butyl-2,3-dihydro-1H-1,2,4-triphosphole; 3,5-ditert-butyl-1,2,4-triphospholane; nickel; nitroxyl anion; tricyclohexylphosphonium CAS Name: 3,5-ditert-butyl-2,3-dihydro-1H-1,2,4-triphosphole; 3,5-ditert-butyl-1,2,4-triphospholane; nickel; nitroxyl anion; tricyclohexylphosphonium IUPAC Name: 3,5-ditert-butyl-2,3-dihydro-1H-1,2,4-triphosphole; 3,5-ditert-butyl-1,2,4-triphospholane; nickel; nitroxyl anion; tricyclohexylphosphanium Traditional Name: 3,5-ditert-butyl-2,3-dihydro-1H-1,2,4-triphosphole; 3,5-ditert-butyl-1,2,4-triphospholane; nickel; nitroxyl anion; tricyclohexylphosphonium Formula: C56H112N2Ni2O2P8 MolecularWeight: 1210.677568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1PC(PP1)C(C)(C)C.CC(C)(C)C1PPC(=P1)C(C)(C)C.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.[N-]=O.[N-]=O.[Ni].[Ni]

Isomeric SMILES

CC(C)(C)C1PC(PP1)C(C)(C)C.CC(C)(C)C1PPC(=P1)C(C)(C)C.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.[N-]=O.[N-]=O.[Ni].[Ni]

InChI

InChI=1S/2C18H33P.C10H23P3.C10H21P3.2NO.2Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;2*1-2;;/h2*16-18H,1-15H2;7-8,11-13H,1-6H3;7,12-13H,1-6H3;;;;/q;;;;2*-1;;/p+2