4-methylbenzenesulfonate; methyltin(3+); 4H-quinoline-1-carbaldehyde

Systemtic Name: 4-methylbenzenesulfonate; methyltin(3+); 4H-quinoline-1-carbaldehyde Openeye Name: 4-methylbenzenesulfonate; methyltin(3+); 4H-quinoline-1-carbaldehyde CAS Name: 4-methylbenzenesulfonate; methyltin(3+); 4H-quinoline-1-carboxaldehyde IUPAC Name: 4-methylbenzenesulfonate; methyltin(3+); 4H-quinoline-1-carbaldehyde Traditional Name: methyltin(3+); 4H-quinoline-1-carbaldehyde; tosylate Formula: C18H19NO4SSn+2 MolecularWeight: 464.12276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[Sn+3].C1C=CN(C2=CC=CC=C21)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[Sn+3].C1C=CN(C2=CC=CC=C21)C=O

InChI

InChI=1S/C10H9NO.C7H8O3S.CH3.Sn/c12-8-11-7-3-5-9-4-1-2-6-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10;;/h1-4,6-8H,5H2;2-5H,1H3,(H,8,9,10);1H3;/q;;;+3/p-1