(7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid; 2-(2-oxidanylideneheptyl)thian-4-one

Systemtic Name: (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid; 2-(2-oxidanylideneheptyl)thian-4-one Openeye Name: (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonic acid; 2-(2-oxoheptyl)tetrahydrothiopyran-4-one CAS Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid; 2-(2-oxoheptyl)-4-thianone IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid; 2-(2-oxoheptyl)thian-4-one Traditional Name: (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid; 2-(2-ketoheptyl)tetrahydrothiopyran-4-one Formula: C22H36O6S2 MolecularWeight: 460.64764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1CC(=O)CCS1.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

Isomeric SMILES

CCCCCC(=O)CC1CC(=O)CCS1.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

InChI

InChI=1S/C12H20O2S.C10H16O4S/c1-2-3-4-5-10(13)8-12-9-11(14)6-7-15-12;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h12H,2-9H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)