(E)-1,3-dimethoxy-3-oxidanylidene-prop-1-en-1-olate; 2,3-dimethylbutane-2,3-diamine; ruthenium(1+); triphenylphosphane

Systemtic Name: (E)-1,3-dimethoxy-3-oxidanylidene-prop-1-en-1-olate; 2,3-dimethylbutane-2,3-diamine; ruthenium(1+); triphenylphosphane Openeye Name: (E)-1,3-dimethoxy-3-oxo-prop-1-en-1-olate; 2,3-dimethylbutane-2,3-diamine; ruthenium(1+); triphenylphosphane CAS Name: (E)-1,3-dimethoxy-3-oxo-1-propen-1-olate; 2,3-dimethylbutane-2,3-diamine; ruthenium(1+); triphenylphosphine IUPAC Name: (E)-1,3-dimethoxy-3-oxoprop-1-en-1-olate; 2,3-dimethylbutane-2,3-diamine; ruthenium(1+); triphenylphosphane Traditional Name: (2-amino-1,1,2-trimethyl-propyl)amine; (E)-3-keto-1,3-dimethoxy-prop-1-en-1-olate; ruthenium(1+); triphenylphosphine Formula: C47H53N2O4P2Ru MolecularWeight: 872.952242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(C)N)N.COC(=CC(=O)OC)[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.[Ru+]

Isomeric SMILES

CC(C)(C(C)(C)N)N.CO/C(=C/C(=O)OC)/[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.[Ru+]

InChI

InChI=1S/2C18H15P.C6H16N2.C5H8O4.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,7)6(3,4)8;1-8-4(6)3-5(7)9-2;/h2*1-15H;7-8H2,1-4H3;3,6H,1-2H3;/q;;;;+1/p-1/b;;;4-3+;