cyclopentane; methyl prop-2-ynoate; ruthenium(2+); triphenylphosphane

Systemtic Name: cyclopentane; methyl prop-2-ynoate; ruthenium(2+); triphenylphosphane Openeye Name: cyclopentane; methyl prop-2-ynoate; ruthenium(2+); triphenylphosphane CAS Name: cyclopentane; 2-propynoic acid methyl ester; ruthenium(2+); triphenylphosphine IUPAC Name: cyclopentane; methyl prop-2-ynoate; ruthenium(2+); triphenylphosphane Traditional Name: cyclopentane; propiolic acid methyl ester; ruthenium(2+); triphenylphosphine Formula: C45H43O2P2Ru+ MolecularWeight: 778.839242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#[C-].C1CCCC1.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

COC(=O)C#[C-].C1CCCC1.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.C5H10.C4H3O2.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-4(5)6-2;/h2*1-15H;1-5H2;2H3;/q;;;-1;+2