2-isocyano-2-methyl-propane; pentane-2,4-diol; phenylmethylbenzene; rhodium(2+)

Systemtic Name: 2-isocyano-2-methyl-propane; pentane-2,4-diol; phenylmethylbenzene; rhodium(2+) Openeye Name: 2-isocyano-2-methyl-propane; pentane-2,4-diol; phenylmethylbenzene; rhodium(2+) CAS Name: 2-isocyano-2-methylpropane; pentane-2,4-diol; phenylmethylbenzene; rhodium(2+) IUPAC Name: 2-isocyano-2-methylpropane; pentane-2,4-diol; phenylmethylbenzene; rhodium(2+) Traditional Name: 2-isocyano-2-methyl-propane; pentane-2,4-diol; phenylmethylbenzene; rhodium(2+) Formula: C46H64N2O4Rh2+2 MolecularWeight: 914.82236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)O)O.CC(CC(C)O)O.CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Rh+2].[Rh+2]

Isomeric SMILES

CC(CC(C)O)O.CC(CC(C)O)O.CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Rh+2].[Rh+2]

InChI

InChI=1S/2C13H11.2C5H9N.2C5H12O2.2Rh/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-5(2,3)6-4;2*1-4(6)3-5(2)7;;/h2*1-11H;2*1-3H3;2*4-7H,3H2,1-2H3;;/q2*-1;;;;;2*+2