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

Systemtic Name: butane-1-sulfonic acid; 1-(thian-2-yl)pentan-2-one Openeye Name: butane-1-sulfonic acid; 1-tetrahydrothiopyran-2-ylpentan-2-one CAS Name: 1-butanesulfonic acid; 1-(2-thianyl)-2-pentanone IUPAC Name: butane-1-sulfonic acid; 1-(thian-2-yl)pentan-2-one Traditional Name: butane-1-sulfonic acid; 1-tetrahydrothiopyran-2-ylpentan-2-one Formula: C14H28O4S2 MolecularWeight: 324.49972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)O.CCCC(=O)CC1CCCCS1

Isomeric SMILES

CCCCS(=O)(=O)O.CCCC(=O)CC1CCCCS1

InChI

InChI=1S/C10H18OS.C4H10O3S/c1-2-5-9(11)8-10-6-3-4-7-12-10;1-2-3-4-8(5,6)7/h10H,2-8H2,1H3;2-4H2,1H3,(H,5,6,7)