2-butyl-2-oxidanyl-butanedioate; butyltin(3+)

Systemtic Name: 2-butyl-2-oxidanyl-butanedioate; butyltin(3+) Openeye Name: 2-butyl-2-hydroxy-butanedioate; butyltin(3+) CAS Name: 2-butyl-2-hydroxybutanedioate; butyltin(3+) IUPAC Name: 2-butyl-2-hydroxybutanedioate; butyltin(3+) Traditional Name: 2-butyl-2-hydroxy-succinate; butyltin(3+) Formula: C32H54O15Sn2 MolecularWeight: 916.18216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)[O-])(C(=O)[O-])O.CCCCC(CC(=O)[O-])(C(=O)[O-])O.CCCCC(CC(=O)[O-])(C(=O)[O-])O.CCCC[Sn+3].CCCC[Sn+3]

Isomeric SMILES

CCCCC(CC(=O)[O-])(C(=O)[O-])O.CCCCC(CC(=O)[O-])(C(=O)[O-])O.CCCCC(CC(=O)[O-])(C(=O)[O-])O.CCCC[Sn+3].CCCC[Sn+3]

InChI

InChI=1S/3C8H14O5.2C4H9.2Sn/c3*1-2-3-4-8(13,7(11)12)5-6(9)10;2*1-3-4-2;;/h3*13H,2-5H2,1H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;;/q;;;;;2*+3/p-6