ethanenitrile; rhodium(2+); 3,4,5,6-tetrahydro-2H-azepin-7-olate

Systemtic Name: ethanenitrile; rhodium(2+); 3,4,5,6-tetrahydro-2H-azepin-7-olate Openeye Name: acetonitrile; rhodium(2+); 3,4,5,6-tetrahydro-2H-azepin-7-olate CAS Name: acetonitrile; rhodium(2+); 3,4,5,6-tetrahydro-2H-azepin-7-olate IUPAC Name: acetonitrile; rhodium(2+); 3,4,5,6-tetrahydro-2H-azepin-7-olate Traditional Name: acetonitrile; rhodium(2+); 3,4,5,6-tetrahydro-2H-azepin-7-olate Formula: C28H46N6O4Rh2 MolecularWeight: 736.51364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].[Rh+2].[Rh+2]

Isomeric SMILES

CC#N.CC#N.C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].[Rh+2].[Rh+2]

InChI

InChI=1S/4C6H11NO.2C2H3N.2Rh/c4*8-6-4-2-1-3-5-7-6;2*1-2-3;;/h4*1-5H2,(H,7,8);2*1H3;;/q;;;;;;2*+2/p-4