(2R,5S)-2,5-dimethyl-1,1-bis(oxidanylidene)thian-4-one

Systemtic Name: (2R,5S)-2,5-dimethyl-1,1-bis(oxidanylidene)thian-4-one Openeye Name: (2R,5S)-2,5-dimethyl-1,1-dioxo-thian-4-one CAS Name: (2R,5S)-2,5-dimethyl-1,1-dioxo-4-thianone IUPAC Name: (2R,5S)-2,5-dimethyl-1,1-dioxothian-4-one Traditional Name: (2R,5S)-1,1-diketo-2,5-dimethyl-thian-4-one Formula: C7H12O3S MolecularWeight: 176.23338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(CS1(=O)=O)C

Isomeric SMILES

C[C@@H]1CC(=O)[C@@H](CS1(=O)=O)C

InChI

InChI=1S/C7H12O3S/c1-5-4-11(9,10)6(2)3-7(5)8/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1