1-chloranyl-2-methyl-benzene; ruthenium(2+); triphenylphosphane

Systemtic Name: 1-chloranyl-2-methyl-benzene; ruthenium(2+); triphenylphosphane Openeye Name: 1-chloro-2-methyl-benzene; ruthenium(2+); triphenylphosphane CAS Name: 1-chloro-2-methylbenzene; ruthenium(2+); triphenylphosphine IUPAC Name: 1-chloro-2-methylbenzene; ruthenium(2+); triphenylphosphane Traditional Name: 1-chloro-2-methyl-benzene; ruthenium(2+); triphenylphosphine Formula: C61H52ClP3Ru+2 MolecularWeight: 1014.509863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1Cl.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)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+2]

Isomeric SMILES

CC1=CC=CC=C1Cl.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)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+2]

InChI

InChI=1S/3C18H15P.C7H7Cl.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-7(6)8;/h3*1-15H;2-5H,1H3;/q;;;;+2