chloranylruthenium(1+); (4-methylphenyl)sulfonyl-(pyridin-2-ylmethyl)azanide; 1-methyl-4-propan-2-yl-benzene

Systemtic Name: chloranylruthenium(1+); (4-methylphenyl)sulfonyl-(pyridin-2-ylmethyl)azanide; 1-methyl-4-propan-2-yl-benzene Openeye Name: chlororuthenium(1+); 1-isopropyl-4-methyl-benzene; p-tolylsulfonyl(2-pyridylmethyl)azanide CAS Name: chlororuthenium(1+); (4-methylphenyl)sulfonyl-(2-pyridinylmethyl)azanide; 1-methyl-4-propan-2-ylbenzene IUPAC Name: chlororuthenium(1+); (4-methylphenyl)sulfonyl-(pyridin-2-ylmethyl)azanide; 1-methyl-4-propan-2-ylbenzene Traditional Name: chlororuthenium(1+); p-cymene; 2-pyridylmethyl(tosyl)azanide Formula: C23H27ClN2O2RuS MolecularWeight: 532.06068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-]CC2=CC=CC=N2.Cl[Ru+]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-]CC2=CC=CC=N2.Cl[Ru+]

InChI

InChI=1S/C13H13N2O2S.C10H14.ClH.Ru/c1-11-5-7-13(8-6-11)18(16,17)15-10-12-4-2-3-9-14-12;1-8(2)10-6-4-9(3)5-7-10;;/h2-9H,10H2,1H3;4-8H,1-3H3;1H;/q-1;;;+2/p-1