2,2-bis(6-methylheptylsulfanyl)ethanoate; tin(4+)

Systemtic Name: 2,2-bis(6-methylheptylsulfanyl)ethanoate; tin(4+) Openeye Name: stannic 2,2-bis(6-methylheptylsulfanyl)acetate CAS Name: 2,2-bis(6-methylheptylthio)acetate; tin(4+) IUPAC Name: 2,2-bis(6-methylheptylsulfanyl)acetate; tin(4+) Traditional Name: stannic 2,2-bis(6-methylheptylthio)acetate Formula: C72H140O8S8Sn MolecularWeight: 1509.1072

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Descriptors Computed from Structure

Canonical SMILES:

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.CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C.[Sn+4]

Isomeric SMILES

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.CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C.[Sn+4]

InChI

InChI=1S/4C18H36O2S2.Sn/c4*1-15(2)11-7-5-9-13-21-18(17(19)20)22-14-10-6-8-12-16(3)4;/h4*15-16,18H,5-14H2,1-4H3,(H,19,20);/q;;;;+4/p-4