carbanide; (phenylmethylidene)ruthenium(1+); 2,2,6,6-tetramethylheptane-3,5-diol

Systemtic Name: carbanide; (phenylmethylidene)ruthenium(1+); 2,2,6,6-tetramethylheptane-3,5-diol Openeye Name: benzylideneruthenium(1+); carbanide; 2,2,6,6-tetramethylheptane-3,5-diol CAS Name: carbanide; (phenylmethylene)ruthenium(1+); 2,2,6,6-tetramethylheptane-3,5-diol IUPAC Name: benzylideneruthenium(1+); carbanide; 2,2,6,6-tetramethylheptane-3,5-diol Traditional Name: benzalruthenium(1+); carbanide; 2,2,6,6-tetramethylheptane-3,5-diol Formula: C30H57O4Ru MolecularWeight: 582.84118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC(C)(C)C(CC(C(C)(C)C)O)O.CC(C)(C)C(CC(C(C)(C)C)O)O.C1=CC=C(C=C1)C=[Ru+]

Isomeric SMILES

[CH3-].CC(C)(C)C(CC(C(C)(C)C)O)O.CC(C)(C)C(CC(C(C)(C)C)O)O.C1=CC=C(C=C1)C=[Ru+]

InChI

InChI=1S/2C11H24O2.C7H6.CH3.Ru/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-7-5-3-2-4-6-7;;/h2*8-9,12-13H,7H2,1-6H3;1-6H;1H3;/q;;;-1;+1