2,3,3a,7a-tetrahydro-1H-indene; ruthenium(2+); 1,3,3-triphenylpent-4-yn-1-one; triphenylphosphane

Systemtic Name: 2,3,3a,7a-tetrahydro-1H-indene; ruthenium(2+); 1,3,3-triphenylpent-4-yn-1-one; triphenylphosphane Openeye Name: 2,3,3a,7a-tetrahydro-1H-indene; ruthenium(2+); 1,3,3-triphenylpent-4-yn-1-one; triphenylphosphane CAS Name: 2,3,3a,7a-tetrahydro-1H-indene; ruthenium(2+); 1,3,3-triphenyl-4-pentyn-1-one; triphenylphosphine IUPAC Name: 2,3,3a,7a-tetrahydro-1H-indene; ruthenium(2+); 1,3,3-triphenylpent-4-yn-1-one; triphenylphosphane Traditional Name: 2,3,3a,7a-tetrahydro-1H-indene; ruthenium(2+); 1,3,3-triphenylpent-4-yn-1-one; triphenylphosphine Formula: C68H59OP2Ru+ MolecularWeight: 1055.212982

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC(CC(=O)C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1CC2C=CC=CC2C1.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+2]

Isomeric SMILES

[C-]#CC(CC(=O)C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1CC2C=CC=CC2C1.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+2]

InChI

InChI=1S/C23H17O.2C18H15P.C9H12.Ru/c1-2-23(20-14-8-4-9-15-20,21-16-10-5-11-17-21)18-22(24)19-12-6-3-7-13-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;/h3-17H,18H2;2*1-15H;1-2,4-5,8-9H,3,6-7H2;/q-1;;;;+2