2,2-bis(6-methylheptylsulfanyl)ethanoate; butyltin(3+)

Systemtic Name: 2,2-bis(6-methylheptylsulfanyl)ethanoate; butyltin(3+) Openeye Name: 2,2-bis(6-methylheptylsulfanyl)acetate; butyltin(3+) CAS Name: 2,2-bis(6-methylheptylthio)acetate; butyltin(3+) IUPAC Name: 2,2-bis(6-methylheptylsulfanyl)acetate; butyltin(3+) Traditional Name: 2,2-bis(6-methylheptylthio)acetate; butyltin(3+) Formula: C58H114O6S6Sn MolecularWeight: 1218.62216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H36O2S2.C4H9.Sn/c3*1-15(2)11-7-5-9-13-21-18(17(19)20)22-14-10-6-8-12-16(3)4;1-3-4-2;/h3*15-16,18H,5-14H2,1-4H3,(H,19,20);1,3-4H2,2H3;/q;;;;+3/p-3