butane-1-sulfonate; 1-(1,4-oxathian-4-ium-4-yl)pentan-2-one

Systemtic Name: butane-1-sulfonate; 1-(1,4-oxathian-4-ium-4-yl)pentan-2-one Openeye Name: butane-1-sulfonate; 1-(1,4-oxathian-4-ium-4-yl)pentan-2-one CAS Name: 1-butanesulfonate; 1-(1,4-oxathian-4-ium-4-yl)-2-pentanone IUPAC Name: butane-1-sulfonate; 1-(1,4-oxathian-4-ium-4-yl)pentan-2-one Traditional Name: butane-1-sulfonate; 1-(1,4-oxathian-4-ium-4-yl)pentan-2-one Formula: C13H26O5S2 MolecularWeight: 326.47254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[O-].CCCC(=O)C[S+]1CCOCC1

Isomeric SMILES

CCCCS(=O)(=O)[O-].CCCC(=O)C[S+]1CCOCC1

InChI

InChI=1S/C9H17O2S.C4H10O3S/c1-2-3-9(10)8-12-6-4-11-5-7-12;1-2-3-4-8(5,6)7/h2-8H2,1H3;2-4H2,1H3,(H,5,6,7)/q+1;/p-1