(2,6-dimethylphenyl)-(1-hydroxyethyl)azanide; rhenium; diisothiocyanate

Systemtic Name: (2,6-dimethylphenyl)-(1-hydroxyethyl)azanide; rhenium; diisothiocyanate Openeye Name: (2,6-dimethylphenyl)-(1-hydroxyethyl)azanide; rhenium; diisothiocyanate CAS Name: (2,6-dimethylphenyl)-(1-hydroxyethyl)azanide; rhenium; diisothiocyanate IUPAC Name: (2,6-dimethylphenyl)-(1-hydroxyethyl)azanide; rhenium; diisothiocyanate Traditional Name: (2,6-dimethylphenyl)-(1-hydroxyethyl)azanide; rhenium; diisothiocyanate Formula: C42H56N6O4Re2S2-6 MolecularWeight: 1145.47584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N-]C(C)O.CC1=C(C(=CC=C1)C)[N-]C(C)O.CC1=C(C(=CC=C1)C)[N-]C(C)O.CC1=C(C(=CC=C1)C)[N-]C(C)O.C(=[N-])=S.C(=[N-])=S.[Re].[Re]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N-]C(C)O.CC1=C(C(=CC=C1)C)[N-]C(C)O.CC1=C(C(=CC=C1)C)[N-]C(C)O.CC1=C(C(=CC=C1)C)[N-]C(C)O.C(=[N-])=S.C(=[N-])=S.[Re].[Re]

InChI

InChI=1S/4C10H14NO.2CNS.2Re/c4*1-7-5-4-6-8(2)10(7)11-9(3)12;2*2-1-3;;/h4*4-6,9,12H,1-3H3;;;;/q6*-1;;