ethynylbenzene; indene; ruthenium(1+); triphenylphosphane

Systemtic Name: ethynylbenzene; indene; ruthenium(1+); triphenylphosphane Openeye Name: ethynylbenzene; indene; ruthenium(1+); triphenylphosphane CAS Name: ethynylbenzene; indene; ruthenium(1+); triphenylphosphine IUPAC Name: ethynylbenzene; indene; ruthenium(1+); triphenylphosphane Traditional Name: ethynylbenzene; indene; ruthenium(1+); triphenylphosphine Formula: C53H42P2Ru MolecularWeight: 841.918102

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC1=CC=CC=C1.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+]

Isomeric SMILES

[C-]#CC1=CC=CC=C1.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+]

InChI

InChI=1S/2C18H15P.C9H7.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;1-7H;3-7H;/q;;;-1;+1