5,5-dimethyl-1,1-bis(oxidanylidene)thian-3-one

Systemtic Name: 5,5-dimethyl-1,1-bis(oxidanylidene)thian-3-one Openeye Name: 5,5-dimethyl-1,1-dioxo-thian-3-one CAS Name: 5,5-dimethyl-1,1-dioxo-3-thianone IUPAC Name: 5,5-dimethyl-1,1-dioxothian-3-one Traditional Name: 1,1-diketo-5,5-dimethyl-thian-3-one Formula: C7H12O3S MolecularWeight: 176.23338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CS(=O)(=O)C1)C

Isomeric SMILES

CC1(CC(=O)CS(=O)(=O)C1)C

InChI

InChI=1S/C7H12O3S/c1-7(2)3-6(8)4-11(9,10)5-7/h3-5H2,1-2H3