2-(6-methylheptylsulfanyl)ethanoate; trioctylstannanylium

Systemtic Name: 2-(6-methylheptylsulfanyl)ethanoate; trioctylstannanylium Openeye Name: 2-(6-methylheptylsulfanyl)acetate; trioctylstannanylium CAS Name: 2-(6-methylheptylthio)acetate; trioctylstannanylium IUPAC Name: 2-(6-methylheptylsulfanyl)acetate; trioctylstannanylium Traditional Name: 2-(6-methylheptylthio)acetate; trioctylstannanylium Formula: C34H70O2SSn MolecularWeight: 661.6934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.CC(C)CCCCCSCC(=O)[O-]

Isomeric SMILES

CCCCCCCC[Sn+](CCCCCCCC)CCCCCCCC.CC(C)CCCCCSCC(=O)[O-]

InChI

InChI=1S/C10H20O2S.3C8H17.Sn/c1-9(2)6-4-3-5-7-13-8-10(11)12;3*1-3-5-7-8-6-4-2;/h9H,3-8H2,1-2H3,(H,11,12);3*1,3-8H2,2H3;/q;;;;+1/p-1