bis(chloranyl)-(phenylmethylidene)ruthenium; 1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide; tricyclohexylphosphanium

Systemtic Name: bis(chloranyl)-(phenylmethylidene)ruthenium; 1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide; tricyclohexylphosphanium Openeye Name: benzylidene(dichloro)ruthenium; 1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide; tricyclohexylphosphonium CAS Name: 1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide; dichloro-(phenylmethylene)ruthenium; tricyclohexylphosphonium IUPAC Name: benzylidene(dichloro)ruthenium; 1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide; tricyclohexylphosphanium Traditional Name: benzal(dichloro)ruthenium; 1,3-dimesityl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide; tricyclohexylphosphonium Formula: C50H73Cl2N2PRu MolecularWeight: 905.077781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2[CH-]N(C3C2CCCC3)C4=C(C=C(C=C4C)C)C)C.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1=CC=C(C=C1)C=[Ru](Cl)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2[CH-]N(C3C2CCCC3)C4=C(C=C(C=C4C)C)C)C.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3.C1=CC=C(C=C1)C=[Ru](Cl)Cl

InChI

InChI=1S/C25H33N2.C18H33P.C7H6.2ClH.Ru/c1-16-11-18(3)24(19(4)12-16)26-15-27(23-10-8-7-9-22(23)26)25-20(5)13-17(2)14-21(25)6;1-4-10-16(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;;;/h11-15,22-23H,7-10H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q-1;;;;;+2/p-1