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

Systemtic Name: butane-1-sulfonic acid; 1-(thian-2-yl)heptan-2-one Openeye Name: butane-1-sulfonic acid; 1-tetrahydrothiopyran-2-ylheptan-2-one CAS Name: 1-butanesulfonic acid; 1-(2-thianyl)-2-heptanone IUPAC Name: butane-1-sulfonic acid; 1-(thian-2-yl)heptan-2-one Traditional Name: butane-1-sulfonic acid; 1-tetrahydrothiopyran-2-ylheptan-2-one Formula: C16H32O4S2 MolecularWeight: 352.55288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1CCCCS1.CCCCS(=O)(=O)O

Isomeric SMILES

CCCCCC(=O)CC1CCCCS1.CCCCS(=O)(=O)O

InChI

InChI=1S/C12H22OS.C4H10O3S/c1-2-3-4-7-11(13)10-12-8-5-6-9-14-12;1-2-3-4-8(5,6)7/h12H,2-10H2,1H3;2-4H2,1H3,(H,5,6,7)