2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoic acid; chloranylruthenium; triphenylphosphanium

Systemtic Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoic acid; chloranylruthenium; triphenylphosphanium Openeye Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid; chlororuthenium; triphenylphosphonium CAS Name: 2,2-bis(3,5-dimethyl-1-pyrazolyl)acetic acid; chlororuthenium; triphenylphosphonium IUPAC Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid; chlororuthenium; triphenylphosphanium Traditional Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid; chlororuthenium; triphenylphosphonium Formula: C48H48ClN4O2P2Ru+2 MolecularWeight: 911.390842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C(=O)O)N2C(=CC(=N2)C)C)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]

Isomeric SMILES

CC1=CC(=NN1C(C(=O)O)N2C(=CC(=N2)C)C)C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]

InChI

InChI=1S/2C18H15P.C12H16N4O2.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-9(3)15(13-7)11(12(17)18)16-10(4)6-8(2)14-16;;/h2*1-15H;5-6,11H,1-4H3,(H,17,18);1H;/q;;;;+1/p+1