2-propan-2-ylthiane-3,5-dione

Systemtic Name: 2-propan-2-ylthiane-3,5-dione Openeye Name: 2-isopropyltetrahydrothiopyran-3,5-dione CAS Name: 2-propan-2-ylthiane-3,5-dione IUPAC Name: 2-propan-2-ylthiane-3,5-dione Traditional Name: 2-isopropyltetrahydrothiopyran-3,5-quinone Formula: C8H12O2S MolecularWeight: 172.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)CC(=O)CS1

Isomeric SMILES

CC(C)C1C(=O)CC(=O)CS1

InChI

InChI=1S/C8H12O2S/c1-5(2)8-7(10)3-6(9)4-11-8/h5,8H,3-4H2,1-2H3