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

Systemtic Name: butane-1-sulfonic acid; 2-(2-oxidanylideneheptyl)thian-4-one Openeye Name: butane-1-sulfonic acid; 2-(2-oxoheptyl)tetrahydrothiopyran-4-one CAS Name: 1-butanesulfonic acid; 2-(2-oxoheptyl)-4-thianone IUPAC Name: butane-1-sulfonic acid; 2-(2-oxoheptyl)thian-4-one Traditional Name: butane-1-sulfonic acid; 2-(2-ketoheptyl)tetrahydrothiopyran-4-one Formula: C16H30O5S2 MolecularWeight: 366.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O2S.C4H10O3S/c1-2-3-4-5-10(13)8-12-9-11(14)6-7-15-12;1-2-3-4-8(5,6)7/h12H,2-9H2,1H3;2-4H2,1H3,(H,5,6,7)