2,2-bis(6-methylheptylsulfanyl)ethanoate; dioctyltin(2+)

Systemtic Name: 2,2-bis(6-methylheptylsulfanyl)ethanoate; dioctyltin(2+) Openeye Name: 2,2-bis(6-methylheptylsulfanyl)acetate; dioctyltin(2+) CAS Name: 2,2-bis(6-methylheptylthio)acetate; dioctyltin(2+) IUPAC Name: 2,2-bis(6-methylheptylsulfanyl)acetate; dioctyltin(2+) Traditional Name: 2,2-bis(6-methylheptylthio)acetate; dioctyltin(2+) Formula: C52H104O4S4Sn MolecularWeight: 1040.34976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C.CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C

Isomeric SMILES

CCCCCCCC[Sn+2]CCCCCCCC.CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C.CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C

InChI

InChI=1S/2C18H36O2S2.2C8H17.Sn/c2*1-15(2)11-7-5-9-13-21-18(17(19)20)22-14-10-6-8-12-16(3)4;2*1-3-5-7-8-6-4-2;/h2*15-16,18H,5-14H2,1-4H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2