4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid; tributyltin

Systemtic Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid; tributyltin Openeye Name: 4-methyl-2-(p-tolylsulfonylamino)pentanoic acid; tributyltin CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid; tributyltin IUPAC Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid; tributyltin Traditional Name: 4-methyl-2-(tosylamino)valeric acid; tributyltin Formula: C25H46NO4SSn MolecularWeight: 575.41204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCC[Sn](CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C13H19NO4S.3C4H9.Sn/c1-9(2)8-12(13(15)16)14-19(17,18)11-6-4-10(3)5-7-11;3*1-3-4-2;/h4-7,9,12,14H,8H2,1-3H3,(H,15,16);3*1,3-4H2,2H3;