butane-1-sulfonic acid; 2-(2-oxidanylidenepropyl)thian-4-one

Systemtic Name: butane-1-sulfonic acid; 2-(2-oxidanylidenepropyl)thian-4-one Openeye Name: 2-acetonyltetrahydrothiopyran-4-one; butane-1-sulfonic acid CAS Name: 1-butanesulfonic acid; 2-(2-oxopropyl)-4-thianone IUPAC Name: butane-1-sulfonic acid; 2-(2-oxopropyl)thian-4-one Traditional Name: 2-acetonyltetrahydrothiopyran-4-one; butane-1-sulfonic acid Formula: C12H22O5S2 MolecularWeight: 310.43008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)O.CC(=O)CC1CC(=O)CCS1

Isomeric SMILES

CCCCS(=O)(=O)O.CC(=O)CC1CC(=O)CCS1

InChI

InChI=1S/C8H12O2S.C4H10O3S/c1-6(9)4-8-5-7(10)2-3-11-8;1-2-3-4-8(5,6)7/h8H,2-5H2,1H3;2-4H2,1H3,(H,5,6,7)