butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)hexan-2-one

Systemtic Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)hexan-2-one Openeye Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)hexan-2-one CAS Name: 1-butanesulfonate; 1-(1,4-dithian-1-ium-1-yl)-2-hexanone IUPAC Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)hexan-2-one Traditional Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)hexan-2-one Formula: C14H28O4S3 MolecularWeight: 356.56472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C[S+]1CCSCC1.CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCC(=O)C[S+]1CCSCC1.CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C10H19OS2.C4H10O3S/c1-2-3-4-10(11)9-13-7-5-12-6-8-13;1-2-3-4-8(5,6)7/h2-9H2,1H3;2-4H2,1H3,(H,5,6,7)/q+1;/p-1