butane-1-sulfonic acid; 1-(thian-2-yl)hexan-2-one

Systemtic Name: butane-1-sulfonic acid; 1-(thian-2-yl)hexan-2-one Openeye Name: butane-1-sulfonic acid; 1-tetrahydrothiopyran-2-ylhexan-2-one CAS Name: 1-butanesulfonic acid; 1-(2-thianyl)-2-hexanone IUPAC Name: butane-1-sulfonic acid; 1-(thian-2-yl)hexan-2-one Traditional Name: butane-1-sulfonic acid; 1-tetrahydrothiopyran-2-ylhexan-2-one Formula: C15H30O4S2 MolecularWeight: 338.5263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC1CCCCS1.CCCCS(=O)(=O)O

Isomeric SMILES

CCCCC(=O)CC1CCCCS1.CCCCS(=O)(=O)O

InChI

InChI=1S/C11H20OS.C4H10O3S/c1-2-3-6-10(12)9-11-7-4-5-8-13-11;1-2-3-4-8(5,6)7/h11H,2-9H2,1H3;2-4H2,1H3,(H,5,6,7)