(2R,3S,6R)-2-ethyl-3,6-dimethyl-thian-4-one

Systemtic Name: (2R,3S,6R)-2-ethyl-3,6-dimethyl-thian-4-one Openeye Name: (2R,3S,6R)-2-ethyl-3,6-dimethyl-tetrahydrothiopyran-4-one CAS Name: (2R,3S,6R)-2-ethyl-3,6-dimethyl-4-thianone IUPAC Name: (2R,3S,6R)-2-ethyl-3,6-dimethylthian-4-one Traditional Name: (2R,3S,6R)-2-ethyl-3,6-dimethyl-tetrahydrothiopyran-4-one Formula: C9H16OS MolecularWeight: 172.28774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=O)CC(S1)C)C

Isomeric SMILES

CC[C@@H]1[C@H](C(=O)C[C@H](S1)C)C

InChI

InChI=1S/C9H16OS/c1-4-9-7(3)8(10)5-6(2)11-9/h6-7,9H,4-5H2,1-3H3/t6-,7+,9-/m1/s1