2-methylpropan-2-ol; (phenylmethylidene)ruthenium(1+); tricyclohexylphosphanium

Systemtic Name: 2-methylpropan-2-ol; (phenylmethylidene)ruthenium(1+); tricyclohexylphosphanium Openeye Name: benzylideneruthenium(1+); 2-methylpropan-2-ol; tricyclohexylphosphonium CAS Name: 2-methyl-2-propanol; (phenylmethylene)ruthenium(1+); tricyclohexylphosphonium IUPAC Name: benzylideneruthenium(1+); 2-methylpropan-2-ol; tricyclohexylphosphanium Traditional Name: benzalruthenium(1+); 2-methylpropan-2-ol; tricyclohexylphosphonium Formula: C33H60O2PRu+2 MolecularWeight: 620.872061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)O.CC(C)(C)O.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1=CC=C(C=C1)C=[Ru+]

Isomeric SMILES

CC(C)(C)O.CC(C)(C)O.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1=CC=C(C=C1)C=[Ru+]

InChI

InChI=1S/C18H33P.C7H6.2C4H10O.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2*1-4(2,3)5;/h16-18H,1-15H2;1-6H;2*5H,1-3H3;/q;;;;+1/p+1