2,4-bis(oxidanylidene)-4-propan-2-yloxy-butanoic acid; 4-(1,3-dithiolan-2-ylidene)oxetan-2-one

Systemtic Name: 2,4-bis(oxidanylidene)-4-propan-2-yloxy-butanoic acid; 4-(1,3-dithiolan-2-ylidene)oxetan-2-one Openeye Name: 4-(1,3-dithiolan-2-ylidene)oxetan-2-one; 4-isopropoxy-2,4-dioxo-butanoic acid CAS Name: 2,4-dioxo-4-propan-2-yloxybutanoic acid; 4-(1,3-dithiolan-2-ylidene)-2-oxetanone IUPAC Name: 2,4-dioxo-4-propan-2-yloxybutanoic acid; 4-(1,3-dithiolan-2-ylidene)oxetan-2-one Traditional Name: 4-(1,3-dithiolan-2-ylidene)oxetan-2-one; 4-isopropoxy-2,4-diketo-butyric acid Formula: C13H16O7S2 MolecularWeight: 348.39194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)C(=O)O.C1CSC(=C2CC(=O)O2)S1

Isomeric SMILES

CC(C)OC(=O)CC(=O)C(=O)O.C1CSC(=C2CC(=O)O2)S1

InChI

InChI=1S/C7H10O5.C6H6O2S2/c1-4(2)12-6(9)3-5(8)7(10)11;7-5-3-4(8-5)6-9-1-2-10-6/h4H,3H2,1-2H3,(H,10,11);1-3H2