methyl 2,2-bis(methylsulfanyl)-2-(2-oxidanylidenecyclohexyl)ethanoate

Systemtic Name: methyl 2,2-bis(methylsulfanyl)-2-(2-oxidanylidenecyclohexyl)ethanoate Openeye Name: methyl 2,2-bis(methylsulfanyl)-2-(2-oxocyclohexyl)acetate CAS Name: 2,2-bis(methylthio)-2-(2-oxocyclohexyl)acetic acid methyl ester IUPAC Name: methyl 2,2-bis(methylsulfanyl)-2-(2-oxocyclohexyl)acetate Traditional Name: 2-(2-ketocyclohexyl)-2,2-bis(methylthio)acetic acid methyl ester Formula: C11H18O3S2 MolecularWeight: 262.38882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCC1=O)(SC)SC

Isomeric SMILES

COC(=O)C(C1CCCCC1=O)(SC)SC

InChI

InChI=1S/C11H18O3S2/c1-14-10(13)11(15-2,16-3)8-6-4-5-7-9(8)12/h8H,4-7H2,1-3H3