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

Systemtic Name: 4-methylbenzenesulfonate; methyltin(3+); quinoline-3-carbaldehyde Openeye Name: 4-methylbenzenesulfonate; methyltin(3+); quinoline-3-carbaldehyde CAS Name: 4-methylbenzenesulfonate; methyltin(3+); 3-quinolinecarboxaldehyde IUPAC Name: 4-methylbenzenesulfonate; methyltin(3+); quinoline-3-carbaldehyde Traditional Name: methyltin(3+); quinoline-3-carbaldehyde; tosylate Formula: C18H17NO4SSn+2 MolecularWeight: 462.10688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[Sn+3].C1=CC=C2C(=C1)C=C(C=N2)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[Sn+3].C1=CC=C2C(=C1)C=C(C=N2)C=O

InChI

InChI=1S/C10H7NO.C7H8O3S.CH3.Sn/c12-7-8-5-9-3-1-2-4-10(9)11-6-8;1-6-2-4-7(5-3-6)11(8,9)10;;/h1-7H;2-5H,1H3,(H,8,9,10);1H3;/q;;;+3/p-1