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

Systemtic Name: butane-1-sulfonic acid; 2-(2-oxidanylidenebutyl)thian-4-one Openeye Name: butane-1-sulfonic acid; 2-(2-oxobutyl)tetrahydrothiopyran-4-one CAS Name: 1-butanesulfonic acid; 2-(2-oxobutyl)-4-thianone IUPAC Name: butane-1-sulfonic acid; 2-(2-oxobutyl)thian-4-one Traditional Name: butane-1-sulfonic acid; 2-(2-ketobutyl)tetrahydrothiopyran-4-one Formula: C13H24O5S2 MolecularWeight: 324.45666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O2S.C4H10O3S/c1-2-7(10)5-9-6-8(11)3-4-12-9;1-2-3-4-8(5,6)7/h9H,2-6H2,1H3;2-4H2,1H3,(H,5,6,7)