carbon monoxide; chloranylruthenium; 2,2-dimethylpropylidenephosphane; 2-isocyano-1,3-dimethyl-benzene; triphenylphosphane

Systemtic Name: carbon monoxide; chloranylruthenium; 2,2-dimethylpropylidenephosphane; 2-isocyano-1,3-dimethyl-benzene; triphenylphosphane Openeye Name: carbon monoxide; chlororuthenium; 2,2-dimethylpropylidenephosphane; 2-isocyano-1,3-dimethyl-benzene; triphenylphosphane CAS Name: carbon monoxide; chlororuthenium; 2,2-dimethylpropylidenephosphine; 2-isocyano-1,3-dimethylbenzene; triphenylphosphine IUPAC Name: carbon monoxide; chlororuthenium; 2,2-dimethylpropylidenephosphane; 2-isocyano-1,3-dimethylbenzene; triphenylphosphane Traditional Name: carbon monoxide; chlororuthenium; 2-isocyano-1,3-dimethyl-benzene; neopentylidenephosphine; triphenylphosphine Formula: C51H50ClNOP3Ru MolecularWeight: 922.393083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]#[C-].CC(C)(C)C=P.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]#[C-].CC(C)(C)C=P.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]

InChI

InChI=1S/2C18H15P.C9H9N.C5H11P.CO.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-4-6-8(2)9(7)10-3;1-5(2,3)4-6;1-2;;/h2*1-15H;4-6H,1-2H3;4,6H,1-3H3;;1H;/q;;;;;;+1/p-1