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

Systemtic Name: benzaldehyde; rhodium(3+); 3,4,5,6-tetrahydro-2H-azepin-7-olate Openeye Name: benzaldehyde; rhodium(3+); 3,4,5,6-tetrahydro-2H-azepin-7-olate CAS Name: benzaldehyde; rhodium(3+); 3,4,5,6-tetrahydro-2H-azepin-7-olate IUPAC Name: benzaldehyde; rhodium(3+); 3,4,5,6-tetrahydro-2H-azepin-7-olate Traditional Name: benzaldehyde; rhodium(3+); 3,4,5,6-tetrahydro-2H-azepin-7-olate Formula: C38H50N4O6Rh2 MolecularWeight: 864.6378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1=CC(=CC=[C-]1)C=O.C1=CC(=CC=[C-]1)C=O.[Rh+3].[Rh+3]

Isomeric SMILES

C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1CCC(=NCC1)[O-].C1=CC(=CC=[C-]1)C=O.C1=CC(=CC=[C-]1)C=O.[Rh+3].[Rh+3]

InChI

InChI=1S/2C7H5O.4C6H11NO.2Rh/c2*8-6-7-4-2-1-3-5-7;4*8-6-4-2-1-3-5-7-6;;/h2*2-6H;4*1-5H2,(H,7,8);;/q2*-1;;;;;2*+3/p-4