4-methylbenzenesulfonate; tributyl-(1-methylpyridin-1-ium-3-yl)stannane

Systemtic Name: 4-methylbenzenesulfonate; tributyl-(1-methylpyridin-1-ium-3-yl)stannane Openeye Name: 4-methylbenzenesulfonate; tributyl-(1-methylpyridin-1-ium-3-yl)stannane CAS Name: 4-methylbenzenesulfonate; tributyl-(1-methyl-3-pyridin-1-iumyl)stannane IUPAC Name: 4-methylbenzenesulfonate; tributyl-(1-methylpyridin-1-ium-3-yl)stannane Traditional Name: tributyl-(1-methylpyridin-1-ium-3-yl)stannane tosylate Formula: C25H41NO3SSn MolecularWeight: 554.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C6H7N.3C4H9.Sn/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-5-3-2-4-6-7;3*1-3-4-2;/h2-5H,1H3,(H,8,9,10);2-3,5-6H,1H3;3*1,3-4H2,2H3;/q;+1;;;;/p-1