bis(4-chlorophenyl)methyltin(3+); 4-methylbenzenesulfonate

Systemtic Name: bis(4-chlorophenyl)methyltin(3+); 4-methylbenzenesulfonate Openeye Name: bis(4-chlorophenyl)methyltin(3+); 4-methylbenzenesulfonate CAS Name: bis(4-chlorophenyl)methyltin(3+); 4-methylbenzenesulfonate IUPAC Name: bis(4-chlorophenyl)methyltin(3+); 4-methylbenzenesulfonate Traditional Name: bis(4-chlorophenyl)methyltin(3+) tritosylate Formula: C34H30Cl2O9S3Sn MolecularWeight: 868.4076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9Cl2.3C7H8O3S.Sn/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;3*1-6-2-4-7(5-3-6)11(8,9)10;/h1-9H;3*2-5H,1H3,(H,8,9,10);/q;;;;+3/p-3