benzene-1,2-dithiolate; carbon monoxide; ruthenium(1+); triphenylphosphane

Systemtic Name: benzene-1,2-dithiolate; carbon monoxide; ruthenium(1+); triphenylphosphane Openeye Name: benzene-1,2-dithiolate; carbon monoxide; ruthenium(1+); triphenylphosphane CAS Name: benzene-1,2-dithiolate; carbon monoxide; ruthenium(1+); triphenylphosphine IUPAC Name: benzene-1,2-dithiolate; carbon monoxide; ruthenium(1+); triphenylphosphane Traditional Name: benzene-1,2-dithiolate; carbon monoxide; ruthenium(1+); triphenylphosphine Formula: C46H34O4P2Ru2S2 MolecularWeight: 978.977282

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[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.C1=CC=C(C(=C1)[S-])[S-].[Ru+].[Ru+]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[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.C1=CC=C(C(=C1)[S-])[S-].[Ru+].[Ru+]

InChI

InChI=1S/2C18H15P.C6H6S2.4CO.2Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-3-1-2-4-6(5)8;4*1-2;;/h2*1-15H;1-4,7-8H;;;;;;/q;;;;;;;2*+1/p-2