chromium(2+); N,N-dimethyl-1-phenyl-methanamine; ethane-1,1-diol; hydrate

Systemtic Name: chromium(2+); N,N-dimethyl-1-phenyl-methanamine; ethane-1,1-diol; hydrate Openeye Name: tetrachromous; N,N-dimethyl-1-phenyl-methanamine; ethane-1,1-diol; hydrate CAS Name: chromium(2+); N,N-dimethyl-1-phenylmethanamine; ethane-1,1-diol; hydrate IUPAC Name: chromium(2+); N,N-dimethyl-1-phenylmethanamine; ethane-1,1-diol; hydrate Traditional Name: tetrachromous; benzyl(dimethyl)amine; ethane-1,1-diol; hydrate Formula: C40H62Cr4N4O5+4 MolecularWeight: 886.92848

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CN(C)CC1=CC=CC=[C-]1.CN(C)CC1=CC=CC=[C-]1.CN(C)CC1=CC=CC=[C-]1.CN(C)CC1=CC=CC=[C-]1.O.[Cr+2].[Cr+2].[Cr+2].[Cr+2]

Isomeric SMILES

CC(O)O.CC(O)O.CN(C)CC1=CC=CC=[C-]1.CN(C)CC1=CC=CC=[C-]1.CN(C)CC1=CC=CC=[C-]1.CN(C)CC1=CC=CC=[C-]1.O.[Cr+2].[Cr+2].[Cr+2].[Cr+2]

InChI

InChI=1S/4C9H12N.2C2H6O2.4Cr.H2O/c4*1-10(2)8-9-6-4-3-5-7-9;2*1-2(3)4;;;;;/h4*3-6H,8H2,1-2H3;2*2-4H,1H3;;;;;1H2/q4*-1;;;4*+2;