methyl 4-butylsulfonylbutanoate

Systemtic Name: methyl 4-butylsulfonylbutanoate Openeye Name: methyl 4-butylsulfonylbutanoate CAS Name: 4-butylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 4-butylsulfonylbutanoate Traditional Name: 4-butylsulfonylbutyric acid methyl ester Formula: C9H18O4S MolecularWeight: 222.30182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CCCC(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)CCCC(=O)OC

InChI

InChI=1S/C9H18O4S/c1-3-4-7-14(11,12)8-5-6-9(10)13-2/h3-8H2,1-2H3