2-(6-methylheptoxy)-2-oxidanylidene-ethanethiolate; trioctylstannanylium

Systemtic Name: 2-(6-methylheptoxy)-2-oxidanylidene-ethanethiolate; trioctylstannanylium Openeye Name: 2-(6-methylheptoxy)-2-oxo-ethanethiolate; trioctylstannanylium CAS Name: 2-(6-methylheptoxy)-2-oxoethanethiolate; trioctylstannanylium IUPAC Name: 2-(6-methylheptoxy)-2-oxoethanethiolate; trioctylstannanylium Traditional Name: 2-keto-2-(6-methylheptoxy)ethanethiolate; trioctylstannanylium Formula: C34H70O2SSn MolecularWeight: 661.6934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O2S.3C8H17.Sn/c1-9(2)6-4-3-5-7-12-10(11)8-13;3*1-3-5-7-8-6-4-2;/h9,13H,3-8H2,1-2H3;3*1,3-8H2,2H3;/q;;;;+1/p-1