2,3,3a,7a-tetrahydro-1H-indene; ethynylbenzene; ruthenium(2+); triphenylphosphane

Systemtic Name: 2,3,3a,7a-tetrahydro-1H-indene; ethynylbenzene; ruthenium(2+); triphenylphosphane Openeye Name: 2,3,3a,7a-tetrahydro-1H-indene; ethynylbenzene; ruthenium(2+); triphenylphosphane CAS Name: 2,3,3a,7a-tetrahydro-1H-indene; ethynylbenzene; ruthenium(2+); triphenylphosphine IUPAC Name: 2,3,3a,7a-tetrahydro-1H-indene; ethynylbenzene; ruthenium(2+); triphenylphosphane Traditional Name: 2,3,3a,7a-tetrahydro-1H-indene; ethynylbenzene; ruthenium(2+); triphenylphosphine Formula: C53H47P2Ru+ MolecularWeight: 846.957802

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=CC=C1.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-]#CC1=CC=CC=C1.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/2C18H15P.C9H12.C8H5.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-9-7-3-6-8(9)4-1;1-2-8-6-4-3-5-7-8;/h2*1-15H;1-2,4-5,8-9H,3,6-7H2;3-7H;/q;;;-1;+2