indene; 3-phenylhept-6-en-1-yn-3-ylbenzene; ruthenium(2+); triphenylphosphane

Systemtic Name: indene; 3-phenylhept-6-en-1-yn-3-ylbenzene; ruthenium(2+); triphenylphosphane Openeye Name: (1-ethynyl-1-phenyl-pent-4-enyl)benzene; indene; ruthenium(2+); triphenylphosphane CAS Name: indene; 3-phenylhept-6-en-1-yn-3-ylbenzene; ruthenium(2+); triphenylphosphine IUPAC Name: indene; 3-phenylhept-6-en-1-yn-3-ylbenzene; ruthenium(2+); triphenylphosphane Traditional Name: (1-ethynyl-1-phenyl-pent-4-enyl)benzene; indene; ruthenium(2+); triphenylphosphine Formula: C64H54P2Ru+ MolecularWeight: 986.131082

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C#[C-])(C1=CC=CC=C1)C2=CC=CC=C2.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.C1=C[C]2[CH][CH][CH][C]2C=C1.[Ru+2]

Isomeric SMILES

C=CCCC(C#[C-])(C1=CC=CC=C1)C2=CC=CC=C2.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.C1=C[C]2[CH][CH][CH][C]2C=C1.[Ru+2]

InChI

InChI=1S/C19H17.2C18H15P.C9H7.Ru/c1-3-5-16-19(4-2,17-12-8-6-9-13-17)18-14-10-7-11-15-18;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;/h3,6-15H,1,5,16H2;2*1-15H;1-7H;/q-1;;;;+2