butane-1-sulfonate; 1-(3-methyl-1,4-dithian-1-ium-1-yl)butan-2-one

Systemtic Name: butane-1-sulfonate; 1-(3-methyl-1,4-dithian-1-ium-1-yl)butan-2-one Openeye Name: butane-1-sulfonate; 1-(3-methyl-1,4-dithian-1-ium-1-yl)butan-2-one CAS Name: 1-butanesulfonate; 1-(3-methyl-1,4-dithian-1-ium-1-yl)-2-butanone IUPAC Name: butane-1-sulfonate; 1-(3-methyl-1,4-dithian-1-ium-1-yl)butan-2-one Traditional Name: butane-1-sulfonate; 1-(3-methyl-1,4-dithian-1-ium-1-yl)butan-2-one Formula: C13H26O4S3 MolecularWeight: 342.53814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[O-].CCC(=O)C[S+]1CCSC(C1)C

Isomeric SMILES

CCCCS(=O)(=O)[O-].CCC(=O)C[S+]1CCSC(C1)C

InChI

InChI=1S/C9H17OS2.C4H10O3S/c1-3-9(10)7-12-5-4-11-8(2)6-12;1-2-3-4-8(5,6)7/h8H,3-7H2,1-2H3;2-4H2,1H3,(H,5,6,7)/q+1;/p-1